(4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate

C127H128N40O7 — CID 160651255

IUPAC(4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccccc3-n3cccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cccc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3ccnc3C)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cncn3)nc12.O.O
InChIInChI=1S/2C26H26N8O.C26H25N7O.C25H24N8O.C24H23N9O.2H2O/c1-16-18(13-25(35)30-16)12-19-15-28-34-24(31-20-8-9-20)14-23(32-26(19)34)29-17(2)21-6-3-4-7-22(21)33-11-5-10-27-33;1-16-19(12-25(35)30-16)11-20-15-29-34-24(31-21-7-8-21)13-23(32-26(20)34)28-14-18-5-3-4-6-22(18)33-10-9-27-17(33)2;1-17-19(13-25(34)29-17)12-20-16-28-33-24(30-21-8-9-21)14-23(31-26(20)33)27-15-18-6-2-3-7-22(18)32-10-4-5-11-32;1-16-18(12-24(34)29-16)11-19-15-28-33-23(30-20-7-8-20)13-22(31-25(19)33)26-14-17-5-2-3-6-21(17)32-10-4-9-27-32;1-15-17(9-23(34)29-15)8-18-12-27-33-22(30-19-6-7-19)10-21(31-24(18)33)26-11-16-4-2-3-5-20(16)32-14-25-13-28-32;;/h3-7,10-12,14-15,17,20,31H,1,8-9,13H2,2H3,(H,29,32)(H,30,35);3-6,9-11,13,15,21,31H,1,7-8,12,14H2,2H3,(H,28,32)(H,30,35);2-7,10-12,14,16,21,30H,1,8-9,13,15H2,(H,27,31)(H,29,34);2-6,9-11,13,15,20,30H,1,7-8,12,14H2,(H,26,31)(H,29,34);2-5,8,10,12-14,19,30H,1,6-7,9,11H2,(H,26,31)(H,29,34);2*1H2/b18-12+;19-11+;19-12+;18-11+;17-8+;;
InChIKeyMQTGVQKSRLVAKF-SNEQAWMFSA-N
MW2326.69 g/mol
LogP16.81
Rot. Bonds35

About (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate

(4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate (PubChem CID 160651255) has the molecular formula C127H128N40O7 and a molecular weight of 2326.69 g/mol. Its IUPAC name is (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate.

Molecular Properties

Compound Name(4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate
PubChem CID160651255
Molecular FormulaC127H128N40O7
Molecular Weight2326.69 g/mol
Exact Mass2325.09
IUPAC Name(4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccccc3-n3cccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cccc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3ccnc3C)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cncn3)nc12.O.O
InChIInChI=1S/2C26H26N8O.C26H25N7O.C25H24N8O.C24H23N9O.2H2O/c1-16-18(13-25(35)30-16)12-19-15-28-34-24(31-20-8-9-20)14-23(32-26(19)34)29-17(2)21-6-3-4-7-22(21)33-11-5-10-27-33;1-16-19(12-25(35)30-16)11-20-15-29-34-24(31-21-7-8-21)13-23(32-26(20)34)28-14-18-5-3-4-6-22(18)33-10-9-27-17(33)2;1-17-19(13-25(34)29-17)12-20-16-28-33-24(30-21-8-9-21)14-23(31-26(20)33)27-15-18-6-2-3-7-22(18)32-10-4-5-11-32;1-16-18(12-24(34)29-16)11-19-15-28-33-23(30-20-7-8-20)13-22(31-25(19)33)26-14-17-5-2-3-6-21(17)32-10-4-9-27-32;1-15-17(9-23(34)29-15)8-18-12-27-33-22(30-19-6-7-19)10-21(31-24(18)33)26-11-16-4-2-3-5-20(16)32-14-25-13-28-32;;/h3-7,10-12,14-15,17,20,31H,1,8-9,13H2,2H3,(H,29,32)(H,30,35);3-6,9-11,13,15,21,31H,1,7-8,12,14H2,2H3,(H,28,32)(H,30,35);2-7,10-12,14,16,21,30H,1,8-9,13,15H2,(H,27,31)(H,29,34);2-6,9-11,13,15,20,30H,1,7-8,12,14H2,(H,26,31)(H,29,34);2-5,8,10,12-14,19,30H,1,6-7,9,11H2,(H,26,31)(H,29,34);2*1H2/b18-12+;19-11+;19-12+;18-11+;17-8+;;
InChIKeyMQTGVQKSRLVAKF-SNEQAWMFSA-N
XLogP16.81
TPSA568.85 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002326.69
LogP ≤ 516.81
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate with MolForge

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Related Compounds

1-[[3-[(2,4-difluorophenyl)methyl-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-3-(5-methyl-1H-pyrazol-4-yl)propyl]-(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]-1-[2-[(3-phenylimidazo[1,2-b]pyridazin-6-yl)amino]ethyl]imidazolidin-1-ium-2-one
CID 87551145
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157399172
1-[1-(cyclopropylmethyl)-3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157450309
4-[[8-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4,4,4-trifluoro-1-[(1S,4S)-5-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-1-one;4,4,4-trifluoro-1-[(1R,4R)-5-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-1-one
CID 157704758
(3E)-3-[[7-(cyclopropylamino)-5-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157841938
1-[1-(cyclopropylmethyl)-3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-fluoro-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157853516
(4E)-4-[[5-(3-chloro-4-methylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157983017
(3E)-3-[[7-(cyclopropylamino)-5-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(1-phenylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylmethylamino)-5-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylmethylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 158232646
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 158244579
4-[[5-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;(4E)-4-[[5-[(5-chloro-3-pyridinyl)amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(3,5-dichloro-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 158367315
N-[4-[3-amino-1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(2-fluoro-5-methylphenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(3-fluorophenyl)cyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 158451770
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 158712894

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate?
The IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate (CID 160651255) is (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate.
What is the SMILES notation for (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate?
The canonical SMILES for (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccccc3-n3cccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cccc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3ccnc3C)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3-n3cncn3)nc12.O.O.
What is the InChIKey of (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate?
The InChIKey is MQTGVQKSRLVAKF-SNEQAWMFSA-N. The full InChI is InChI=1S/2C26H26N8O.C26H25N7O.C25H24N8O.C24H23N9O.2H2O/c1-16-18(13-25(35)30-16)12-19-15-28-34-24(31-20-8-9-20)14-23(32-26(19)34)29-17(2)21-6-3-4-7-22(21)33-11-5-10-27-33;1-16-19(12-25(35)30-16)11-20-15-29-34-24(31-21-7-8-21)13-23(32-26(20)34)28-14-18-5-3-4-6-22(18)33-10-9-27-17(33)2;1-17-19(13-25(34)29-17)12-20-16-28-33-24(30-21-8-9-21)14-23(31-26(20)33)27-15-18-6-2-3-7-22(18)32-10-4-5-11-32;1-16-18(12-24(34)29-16)11-19-15-28-33-23(30-20-7-8-20)13-22(31-25(19)33)26-14-17-5-2-3-6-21(17)32-10-4-9-27-32;1-15-17(9-23(34)29-15)8-18-12-27-33-22(30-19-6-7-19)10-21(31-24(18)33)26-11-16-4-2-3-5-20(16)32-14-25-13-28-32;;/h3-7,10-12,14-15,17,20,31H,1,8-9,13H2,2H3,(H,29,32)(H,30,35);3-6,9-11,13,15,21,31H,1,7-8,12,14H2,2H3,(H,28,32)(H,30,35);2-7,10-12,14,16,21,30H,1,8-9,13,15H2,(H,27,31)(H,29,34);2-6,9-11,13,15,20,30H,1,7-8,12,14H2,(H,26,31)(H,29,34);2-5,8,10,12-14,19,30H,1,6-7,9,11H2,(H,26,31)(H,29,34);2*1H2/b18-12+;19-11+;19-12+;18-11+;17-8+;;.
What are the key properties of (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate?
(4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate has a molecular weight of 2326.69 g/mol, XLogP of 16.81, 35 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[7-(cyclopropylamino)-5-[[2-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-pyrrol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;dihydrate is sourced from PubChem (CID 160651255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).