(5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

C151H153ClF4N38O12S2 — CID 158666368

IUPAC(5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCN(C(C)C)CC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN(C)C)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN5CCCC5)c4)nc23)C(=O)N1.C=c1/c(=C/c2cnn3c(NC4CC4)cc(Nc4cccc(Cl)c4)nc23)sc(=O)n1C.C=c1[nH]c(=O)s/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(OC)c3)nc12
InChIInChI=1S/C29H32FN7O2.C28H30FN7O2.C26H28FN7O2.C26H25FN6O3.C21H19ClN6OS.C21H19N5O2S/c1-17(2)35-8-10-36(11-9-35)29(39)23-14-19(4-7-24(23)30)25-15-26(33-22-5-6-22)37-27(34-25)21(16-31-37)13-20-12-18(3)32-28(20)38;1-17-12-19(27(37)32-17)13-20-16-31-36-25(33-21-5-6-21)15-24(34-26(20)36)18-4-7-23(29)22(14-18)28(38)30-8-11-35-9-2-3-10-35;1-15-10-17(25(35)30-15)11-18-14-29-34-23(31-19-5-6-19)13-22(32-24(18)34)16-4-7-21(27)20(12-16)26(36)28-8-9-33(2)3;1-15-10-17(25(34)29-15)11-18-14-28-33-23(30-19-3-4-19)13-22(31-24(18)33)16-2-5-21(27)20(12-16)26(35)32-6-8-36-9-7-32;1-12-17(30-21(29)27(12)2)8-13-11-23-28-19(25-15-6-7-15)10-18(26-20(13)28)24-16-5-3-4-14(22)9-16;1-12-18(29-21(27)23-12)9-14-11-22-26-19(24-15-6-7-15)10-17(25-20(14)26)13-4-3-5-16(8-13)28-2/h4,7,13-17,22,33H,3,5-6,8-12H2,1-2H3,(H,32,38);4,7,13-16,21,33H,1-3,5-6,8-12H2,(H,30,38)(H,32,37);4,7,11-14,19,31H,1,5-6,8-10H2,2-3H3,(H,28,36)(H,30,35);2,5,11-14,19,30H,1,3-4,6-10H2,(H,29,34);3-5,8-11,15,25H,1,6-7H2,2H3,(H,24,26);3-5,8-11,15,24H,1,6-7H2,2H3,(H,23,27)/b20-13+;19-13+;2*17-11+;17-8-;18-9-
InChIKeyIDKFHIVGYDNKQZ-MOTMPAMRSA-N
MW2867.72 g/mol
LogP17.53
Rot. Bonds37

About (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

(5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 158666368) has the molecular formula C151H153ClF4N38O12S2 and a molecular weight of 2867.72 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID158666368
Molecular FormulaC151H153ClF4N38O12S2
Molecular Weight2867.72 g/mol
Exact Mass2865.16
IUPAC Name(5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCN(C(C)C)CC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN(C)C)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN5CCCC5)c4)nc23)C(=O)N1.C=c1/c(=C/c2cnn3c(NC4CC4)cc(Nc4cccc(Cl)c4)nc23)sc(=O)n1C.C=c1[nH]c(=O)s/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(OC)c3)nc12
InChIInChI=1S/C29H32FN7O2.C28H30FN7O2.C26H28FN7O2.C26H25FN6O3.C21H19ClN6OS.C21H19N5O2S/c1-17(2)35-8-10-36(11-9-35)29(39)23-14-19(4-7-24(23)30)25-15-26(33-22-5-6-22)37-27(34-25)21(16-31-37)13-20-12-18(3)32-28(20)38;1-17-12-19(27(37)32-17)13-20-16-31-36-25(33-21-5-6-21)15-24(34-26(20)36)18-4-7-23(29)22(14-18)28(38)30-8-11-35-9-2-3-10-35;1-15-10-17(25(35)30-15)11-18-14-29-34-23(31-19-5-6-19)13-22(32-24(18)34)16-4-7-21(27)20(12-16)26(36)28-8-9-33(2)3;1-15-10-17(25(34)29-15)11-18-14-28-33-23(30-19-3-4-19)13-22(31-24(18)33)16-2-5-21(27)20(12-16)26(35)32-6-8-36-9-7-32;1-12-17(30-21(29)27(12)2)8-13-11-23-28-19(25-15-6-7-15)10-18(26-20(13)28)24-16-5-3-4-14(22)9-16;1-12-18(29-21(27)23-12)9-14-11-22-26-19(24-15-6-7-15)10-17(25-20(14)26)13-4-3-5-16(8-13)28-2/h4,7,13-17,22,33H,3,5-6,8-12H2,1-2H3,(H,32,38);4,7,13-16,21,33H,1-3,5-6,8-12H2,(H,30,38)(H,32,37);4,7,11-14,19,31H,1,5-6,8-10H2,2-3H3,(H,28,36)(H,30,35);2,5,11-14,19,30H,1,3-4,6-10H2,(H,29,34);3-5,8-11,15,25H,1,6-7H2,2H3,(H,24,26);3-5,8-11,15,24H,1,6-7H2,2H3,(H,23,27)/b20-13+;19-13+;2*17-11+;17-8-;18-9-
InChIKeyIDKFHIVGYDNKQZ-MOTMPAMRSA-N
XLogP17.53
TPSA563.61 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds37
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002867.72
LogP ≤ 517.53
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide with MolForge

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Related Compounds

CID 157183777
CID 157183777
CID 157265741
CID 157265741
CID 157274211
CID 157274211
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-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;N-(2-piperazin-1-ylethyl)-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 157294464
N-(2-amino-2-methylpropyl)-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 157401075
CID 157492854
CID 157492854
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731
CID 157650945
CID 157650945
4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157652854
4-[[[5-[(3-Chloro-4-fluorophenyl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid;bis(4-[[[5-[[3-(difluoromethoxy)-4-fluorophenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid);4-[[[5-[(3,4-difluorophenyl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid;4-[[[3-fluoro-5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid;4-[[[3-fluoro-5-[[4-fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid;4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 157656977
CID 157807418
CID 157807418
CID 157871199
CID 157871199

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 158666368) is (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCN(C(C)C)CC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)N5CCOCC5)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN(C)C)c4)nc23)C(=O)N1.C=C1C/C(=C\c2cnn3c(NC4CC4)cc(-c4ccc(F)c(C(=O)NCCN5CCCC5)c4)nc23)C(=O)N1.C=c1/c(=C/c2cnn3c(NC4CC4)cc(Nc4cccc(Cl)c4)nc23)sc(=O)n1C.C=c1[nH]c(=O)s/c1=C\c1cnn2c(NC3CC3)cc(-c3cccc(OC)c3)nc12.
What is the InChIKey of (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is IDKFHIVGYDNKQZ-MOTMPAMRSA-N. The full InChI is InChI=1S/C29H32FN7O2.C28H30FN7O2.C26H28FN7O2.C26H25FN6O3.C21H19ClN6OS.C21H19N5O2S/c1-17(2)35-8-10-36(11-9-35)29(39)23-14-19(4-7-24(23)30)25-15-26(33-22-5-6-22)37-27(34-25)21(16-31-37)13-20-12-18(3)32-28(20)38;1-17-12-19(27(37)32-17)13-20-16-31-36-25(33-21-5-6-21)15-24(34-26(20)36)18-4-7-23(29)22(14-18)28(38)30-8-11-35-9-2-3-10-35;1-15-10-17(25(35)30-15)11-18-14-29-34-23(31-19-5-6-19)13-22(32-24(18)34)16-4-7-21(27)20(12-16)26(36)28-8-9-33(2)3;1-15-10-17(25(34)29-15)11-18-14-28-33-23(30-19-3-4-19)13-22(31-24(18)33)16-2-5-21(27)20(12-16)26(35)32-6-8-36-9-7-32;1-12-17(30-21(29)27(12)2)8-13-11-23-28-19(25-15-6-7-15)10-18(26-20(13)28)24-16-5-3-4-14(22)9-16;1-12-18(29-21(27)23-12)9-14-11-22-26-19(24-15-6-7-15)10-17(25-20(14)26)13-4-3-5-16(8-13)28-2/h4,7,13-17,22,33H,3,5-6,8-12H2,1-2H3,(H,32,38);4,7,13-16,21,33H,1-3,5-6,8-12H2,(H,30,38)(H,32,37);4,7,11-14,19,31H,1,5-6,8-10H2,2-3H3,(H,28,36)(H,30,35);2,5,11-14,19,30H,1,3-4,6-10H2,(H,29,34);3-5,8-11,15,25H,1,6-7H2,2H3,(H,24,26);3-5,8-11,15,24H,1,6-7H2,2H3,(H,23,27)/b20-13+;19-13+;2*17-11+;17-8-;18-9-.
What are the key properties of (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
(5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 2867.72 g/mol, XLogP of 17.53, 37 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 158666368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).