(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile

C115H105F4N35O11 — CID 160692324

IUPAC(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cc3OC)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C#N)cc3OC(F)(F)F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C(=O)O)cc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C(N)=O)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(NC(C)=O)c3)nc12
InChIInChI=1S/C25H24N8O2.C23H18F3N7O2.C23H23N7O2.C22H19FN6O3.C22H21N7O2/c1-15-16(10-24(34)28-15)9-17-13-27-33-23(29-18-3-4-18)12-22(31-25(17)33)30-20-6-5-19(11-21(20)35-2)32-8-7-26-14-32;1-12-14(8-21(34)29-12)7-15-11-28-33-20(30-16-3-4-16)9-19(32-22(15)33)31-17-5-2-13(10-27)6-18(17)35-23(24,25)26;1-13-15(9-22(32)25-13)8-16-12-24-30-21(28-17-6-7-17)11-20(29-23(16)30)27-19-5-3-4-18(10-19)26-14(2)31;1-11-13(8-20(30)25-11)6-14-10-24-29-19(26-15-3-4-15)9-18(28-21(14)29)27-17-5-2-12(22(31)32)7-16(17)23;1-12-14(9-20(30)25-12)8-15-11-24-29-19(27-17-6-7-17)10-18(28-22(15)29)26-16-4-2-13(3-5-16)21(23)31/h5-9,11-14,18,29H,1,3-4,10H2,2H3,(H,28,34)(H,30,31);2,5-7,9,11,16,30H,1,3-4,8H2,(H,29,34)(H,31,32);3-5,8,10-12,17,28H,1,6-7,9H2,2H3,(H,25,32)(H,26,31)(H,27,29);2,5-7,9-10,15,26H,1,3-4,8H2,(H,25,30)(H,27,28)(H,31,32);2-5,8,10-11,17,27H,1,6-7,9H2,(H2,23,31)(H,25,30)(H,26,28)/b16-9+;14-7+;15-8+;13-6+;14-8+
InChIKeyRPOJEPNJGGIXHA-VCLPLLBMSA-N
MW2229.33 g/mol
LogP17.18
Rot. Bonds31

About (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile

(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile (PubChem CID 160692324) has the molecular formula C115H105F4N35O11 and a molecular weight of 2229.33 g/mol. Its IUPAC name is (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile.

Molecular Properties

Compound Name(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile
PubChem CID160692324
Molecular FormulaC115H105F4N35O11
Molecular Weight2229.33 g/mol
Exact Mass2227.87
IUPAC Name(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cc3OC)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C#N)cc3OC(F)(F)F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C(=O)O)cc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C(N)=O)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(NC(C)=O)c3)nc12
InChIInChI=1S/C25H24N8O2.C23H18F3N7O2.C23H23N7O2.C22H19FN6O3.C22H21N7O2/c1-15-16(10-24(34)28-15)9-17-13-27-33-23(29-18-3-4-18)12-22(31-25(17)33)30-20-6-5-19(11-21(20)35-2)32-8-7-26-14-32;1-12-14(8-21(34)29-12)7-15-11-28-33-20(30-16-3-4-16)9-19(32-22(15)33)31-17-5-2-13(10-27)6-18(17)35-23(24,25)26;1-13-15(9-22(32)25-13)8-16-12-24-30-21(28-17-6-7-17)11-20(29-23(16)30)27-19-5-3-4-18(10-19)26-14(2)31;1-11-13(8-20(30)25-11)6-14-10-24-29-19(26-15-3-4-15)9-18(28-21(14)29)27-17-5-2-12(22(31)32)7-16(17)23;1-12-14(9-20(30)25-12)8-15-11-24-29-19(27-17-6-7-17)10-18(28-22(15)29)26-16-4-2-13(3-5-16)21(23)31/h5-9,11-14,18,29H,1,3-4,10H2,2H3,(H,28,34)(H,30,31);2,5-7,9,11,16,30H,1,3-4,8H2,(H,29,34)(H,31,32);3-5,8,10-12,17,28H,1,6-7,9H2,2H3,(H,25,32)(H,26,31)(H,27,29);2,5-7,9-10,15,26H,1,3-4,8H2,(H,25,30)(H,27,28)(H,31,32);2-5,8,10-11,17,27H,1,6-7,9H2,(H2,23,31)(H,25,30)(H,26,28)/b16-9+;14-7+;15-8+;13-6+;14-8+
InChIKeyRPOJEPNJGGIXHA-VCLPLLBMSA-N
XLogP17.18
TPSA586.31 Ų
H-Bond Donors18
H-Bond Acceptors38
Rotatable Bonds31
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002229.33
LogP ≤ 517.18
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1038

Analyze (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-1-propanoylpyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]amino]benzoic acid;4-[[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-1-propanoylpyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-(trifluoromethyl)pyridin-2-amine
CID 157740188
N-(cyclohexylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157936275
(4E)-4-[[5-(2-chloro-4-imidazol-1-ylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(2-chloro-4-pyrazol-1-ylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile
CID 158081916
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158122701
N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 158293306
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158294318
N-[2-(dimethylamino)ethyl]-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158354776
5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158851980
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158908487
N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158973581
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159004653
N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159005180

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile?
The IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile (CID 160692324) is (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile.
What is the SMILES notation for (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile?
The canonical SMILES for (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(-n4ccnc4)cc3OC)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C#N)cc3OC(F)(F)F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C(=O)O)cc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(C(N)=O)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(NC(C)=O)c3)nc12.
What is the InChIKey of (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile?
The InChIKey is RPOJEPNJGGIXHA-VCLPLLBMSA-N. The full InChI is InChI=1S/C25H24N8O2.C23H18F3N7O2.C23H23N7O2.C22H19FN6O3.C22H21N7O2/c1-15-16(10-24(34)28-15)9-17-13-27-33-23(29-18-3-4-18)12-22(31-25(17)33)30-20-6-5-19(11-21(20)35-2)32-8-7-26-14-32;1-12-14(8-21(34)29-12)7-15-11-28-33-20(30-16-3-4-16)9-19(32-22(15)33)31-17-5-2-13(10-27)6-18(17)35-23(24,25)26;1-13-15(9-22(32)25-13)8-16-12-24-30-21(28-17-6-7-17)11-20(29-23(16)30)27-19-5-3-4-18(10-19)26-14(2)31;1-11-13(8-20(30)25-11)6-14-10-24-29-19(26-15-3-4-15)9-18(28-21(14)29)27-17-5-2-12(22(31)32)7-16(17)23;1-12-14(9-20(30)25-12)8-15-11-24-29-19(27-17-6-7-17)10-18(28-22(15)29)26-16-4-2-13(3-5-16)21(23)31/h5-9,11-14,18,29H,1,3-4,10H2,2H3,(H,28,34)(H,30,31);2,5-7,9,11,16,30H,1,3-4,8H2,(H,29,34)(H,31,32);3-5,8,10-12,17,28H,1,6-7,9H2,2H3,(H,25,32)(H,26,31)(H,27,29);2,5-7,9-10,15,26H,1,3-4,8H2,(H,25,30)(H,27,28)(H,31,32);2-5,8,10-11,17,27H,1,6-7,9H2,(H2,23,31)(H,25,30)(H,26,28)/b16-9+;14-7+;15-8+;13-6+;14-8+.
What are the key properties of (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile?
(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile has a molecular weight of 2229.33 g/mol, XLogP of 17.18, 31 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluorobenzoic acid;N-[3-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile is sourced from PubChem (CID 160692324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).