(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile

C67H60N24O3 — CID 159292483

IUPAC(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile
SMILESC=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)cc4)nc23)CC(=O)N1C.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C#N)cn3)nc12
InChIInChI=1S/C23H21N9O.C23H21N7O.C21H18N8O/c1-14-15(9-22(33)27-14)8-16-11-26-32-21(28-17-2-3-17)10-20(30-23(16)32)29-19-5-4-18(12-25-19)31-7-6-24-13-31;1-14-16(10-22(31)29(14)2)9-17-13-25-30-21(27-19-7-8-19)11-20(28-23(17)30)26-18-5-3-15(12-24)4-6-18;1-12-14(7-20(30)25-12)6-15-11-24-29-19(26-16-3-4-16)8-18(28-21(15)29)27-17-5-2-13(9-22)10-23-17/h4-8,10-13,17,28H,1-3,9H2,(H,27,33)(H,25,29,30);3-6,9,11,13,19,27H,1,7-8,10H2,2H3,(H,26,28);2,5-6,8,10-11,16,26H,1,3-4,7H2,(H,25,30)(H,23,27,28)/b15-8+;16-9+;14-6+
InChIKeyLAHKPWKKLJHOSX-KNGPTZFLSA-N
MW1249.38 g/mol
LogP9.45
Rot. Bonds16

About (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile

(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile (PubChem CID 159292483) has the molecular formula C67H60N24O3 and a molecular weight of 1249.38 g/mol. Its IUPAC name is (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile.

Molecular Properties

Compound Name(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile
PubChem CID159292483
Molecular FormulaC67H60N24O3
Molecular Weight1249.38 g/mol
Exact Mass1248.53
IUPAC Name(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile
SMILESC=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)cc4)nc23)CC(=O)N1C.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C#N)cn3)nc12
InChIInChI=1S/C23H21N9O.C23H21N7O.C21H18N8O/c1-14-15(9-22(33)27-14)8-16-11-26-32-21(28-17-2-3-17)10-20(30-23(16)32)29-19-5-4-18(12-25-19)31-7-6-24-13-31;1-14-16(10-22(31)29(14)2)9-17-13-25-30-21(27-19-7-8-19)11-20(28-23(17)30)26-18-5-3-15(12-24)4-6-18;1-12-14(7-20(30)25-12)6-15-11-24-29-19(26-16-3-4-16)8-18(28-21(15)29)27-17-5-2-13(9-22)10-23-17/h4-8,10-13,17,28H,1-3,9H2,(H,27,33)(H,25,29,30);3-6,9,11,13,19,27H,1,7-8,10H2,2H3,(H,26,28);2,5-6,8,10-11,16,26H,1,3-4,7H2,(H,25,30)(H,23,27,28)/b15-8+;16-9+;14-6+
InChIKeyLAHKPWKKLJHOSX-KNGPTZFLSA-N
XLogP9.45
TPSA332.44 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001249.38
LogP ≤ 59.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile with MolForge

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Related Compounds

US10189836, Example 55
CID 129269532
US10189836, Example 56
CID 129269537
3-[(3R)-3-[[5-fluoro-6-[4-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 118140606
CID 157103917
CID 157103917
7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[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
CID 157672525
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
2-[4-[[8-[8-[(4-Chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]cyclopropane-1-carbonitrile;1-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]cyclopropane-1-carbonitrile;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[3-(trifluoromethyl)cyclobutanecarbonyl]-8-aza-3-azoniabicyclo[3.2.1]oct-2-en-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
CID 157713758
(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
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-N-[(1S)-1-cyclohexylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[4-[[4-(1-cyclopropylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylpropanamide;4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-ethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[(1S)-1-cyclopropylethyl]-2-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-4-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 158823754
(1S,5R)-N-[2-(1-cyclopropylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1,7-dimethylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159326151
(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;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159330132

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile?
The IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile (CID 159292483) is (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile.
What is the SMILES notation for (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile?
The canonical SMILES for (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile is C=C1/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)cc4)nc23)CC(=O)N1C.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C#N)cn3)nc12.
What is the InChIKey of (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile?
The InChIKey is LAHKPWKKLJHOSX-KNGPTZFLSA-N. The full InChI is InChI=1S/C23H21N9O.C23H21N7O.C21H18N8O/c1-14-15(9-22(33)27-14)8-16-11-26-32-21(28-17-2-3-17)10-20(30-23(16)32)29-19-5-4-18(12-25-19)31-7-6-24-13-31;1-14-16(10-22(31)29(14)2)9-17-13-25-30-21(27-19-7-8-19)11-20(28-23(17)30)26-18-5-3-15(12-24)4-6-18;1-12-14(7-20(30)25-12)6-15-11-24-29-19(26-16-3-4-16)8-18(28-21(15)29)27-17-5-2-13(9-22)10-23-17/h4-8,10-13,17,28H,1-3,9H2,(H,27,33)(H,25,29,30);3-6,9,11,13,19,27H,1,7-8,10H2,2H3,(H,26,28);2,5-6,8,10-11,16,26H,1,3-4,7H2,(H,25,30)(H,23,27,28)/b15-8+;16-9+;14-6+.
What are the key properties of (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile?
(4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile has a molecular weight of 1249.38 g/mol, XLogP of 9.45, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[7-(cyclopropylamino)-5-[(5-imidazol-1-yl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;6-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-3-carbonitrile;4-[[7-(cyclopropylamino)-3-[(E)-(1-methyl-2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile is sourced from PubChem (CID 159292483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).