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Pyrazolopyrimidines
Description:
Compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
Ancestors:
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1-methylpyrazolo[3,4-d]pyrimidin-4-amineCas Number: 5334-99-6 Compound CID: 94753Formula: C6H7N5 Molecular Weight: 149.16IUPAC Name: 1-methylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CN1C2=NC=NC(=C2C=N1)NInChIKey: JBMTUXVKTGBMLE-UHFFFAOYSA-NInChI: InChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9) -
1-methyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidineCas Number: 1529701-77-6 Compound CID: 83668533Formula: C7H8N4S Molecular Weight: 180.23SMILES: CN1C2=NC(=NC=C2C=N1)SCInChIKey: YBBZKEKAIMAOOO-UHFFFAOYSA-NInChI: InChI=1S/C7H8N4S/c1-11-6-5(4-9-11)3-8-7(10-6)12-2/h3-4H,1-2H3 -
Allopurinol sodium saltFormula: C5H3N4NaO Molecular Weight: 158.09IUPAC Name: sodium;1H-pyrazolo[3,4-d]pyrimidin-5-id-4-oneSMILES: C1=NNC2=C1C(=O)[N-]C=N2.[Na+]InChIKey: PTJRZVJXXNYNLN-UHFFFAOYSA-MInChI: InChI=1S/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);/q;+1/p-1Synonyms: Allopurinol sodium salt | CHEMBL1200477 | NSC-108836 | ALLOPURINOL SODIUM | sodium 4-oxo-1,4-dihydropyrazolo[3,4-d]py...
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1,6-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dioneCas Number: 56536-24-4 Compound CID: 155896587Formula: C7H8N4O2 Molecular Weight: 180.16IUPAC Name: 1,6-dimethyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dioneSMILES: CN1C(=O)C2=C(C=NN2C)NC1=OInChIKey: DOTCEVYMJKRBTL-UHFFFAOYSA-NInChI: InChI=1S/C7H8N4O2/c1-10-6(12)5-4(9-7(10)13)3-8-11(5)2/h3H,1-2H3,(H,9,13)
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7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrileCas Number: 158664-14-3 Compound CID: 2819027Formula: C8H6N4O Molecular Weight: 174.16IUPAC Name: 5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrileSMILES: CC1=CC(=O)N2C(=N1)C(=CN2)C#NInChIKey: BURYOVHUIIUWEU-UHFFFAOYSA-NInChI: InChI=1S/C8H6N4O/c1-5-2-7(13)12-8(11-5)6(3-9)4-10-12/h2,4,10H,1H3Synonyms: 7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile | 5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-ca...
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6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrileCas Number: 799250-60-5 Compound CID: 651205Formula: C11H12N4O Molecular Weight: 216.24IUPAC Name: 6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrileSMILES: CCC1=C(N=C2C(=C(NN2C1=O)C)C#N)CInChIKey: FRWRGOBAACVRCO-UHFFFAOYSA-NInChI: InChI=1S/C11H12N4O/c1-4-8-6(2)13-10-9(5-12)7(3)14-15(10)11(8)16/h14H,4H2,1-3H3Synonyms: 6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | MLS000074986 | 6-Ethyl-2,5-dimethyl-7-oxo-4,...
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6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineCas Number: 6958-86-7Formula: C14H14ClN5 Molecular Weight: 287.75IUPAC Name: 6-chloro-1-methyl-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amineSMILES: CN1C2=NC(=NC(=C2C=N1)NCCC3=CC=CC=C3)ClInChIKey: KRNAPVRIULRUAL-UHFFFAOYSA-NInChI: InChI=1S/C14H14ClN5/c1-20-13-11(9-17-20)12(18-14(15)19-13)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,18,19)Synonyms: NSC19139 | 6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | MLS002638676 | NSC-19139 | 6-chl...
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6-Ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrileCas Number: 736964-77-5 Compound CID: 3239476Formula: C10H10N4O Molecular Weight: 202.21IUPAC Name: 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrileSMILES: CCC1=C(N=C2C(=CNN2C1=O)C#N)CInChIKey: PJIRQIUNBLUWJK-UHFFFAOYSA-NInChI: InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,12H,3H2,1-2H3Synonyms: 6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | 6-Ethyl-5-Methyl-7-Oxidanylidene-1h-Pyra...
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AGI-24512Cas Number: 2201066-53-5 Compound CID: 134307780Formula: C24H24N4O2 Molecular Weight: 400.47IUPAC Name: 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-oneSMILES: CC1=C(C(=O)N2C(=N1)C(=C(N2)C3=CC=CC=C3)N4CCCCC4)C5=CC=C(C=C5)OInChIKey: VFEXODVWKUOZBF-UHFFFAOYSA-NInChI: show more
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CDK12-IN-E9Cas Number: 2020052-55-3 Compound CID: 122596923Formula: C24H30N6O2 Molecular Weight: 434.53IUPAC Name: N-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamideSMILES: CCC1=C2N=C(C=C(N2N=C1)NC3=CC(=CC=C3)NC(=O)C=C)N4CCCCC4CCOInChIKey: CDCHESFKYUNJPV-FQEVSTJZSA-NInChI: show more
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AG-270Cas Number: 2201056-66-6 Compound CID: 134307820Formula: C30H27N5O2 Molecular Weight: 489.57IUPAC Name: 3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-oneSMILES: COC1=CC=C(C=C1)C2=C(N=C3C(=C(NN3C2=O)C4=CC=CC=C4)C5=CCCCC5)NC6=CC=CC=N6InChIKey: LSOYYWKBUKXUHQ-UHFFFAOYSA-NInChI: show more Synonyms: BDBM50576021 | UNII-E1P2TDU69L | NSC835817 | NSC-835817 | 3-Cyclohexenyl-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-yl...
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SGC-CK2-1Cas Number: 2470424-39-4 Compound CID: 146681133Formula: C20H21N7O Molecular Weight: 375.43IUPAC Name: N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]propanamideSMILES: CCC(=O)NC1=C(C=CC(=C1)NC2=NC3=C(C=NN3C(=C2)NC4CC4)C#N)CInChIKey: YKDZIFFKQUNVHH-UHFFFAOYSA-NInChI: show more
