(4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C106H114N28O11S4 — CID 159447664

IUPAC(4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCCCC4COC)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NC(CC)CN4CCOCC4)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCc4ccncc4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCN(CCO)CC4)s3)nc12
InChIInChI=1S/C28H33N7O3S.C27H30N6O3S.C26H23N7O2S.C25H28N8O3S/c1-3-20(16-34-8-10-38-11-9-34)32-28(37)24-7-6-23(39-24)22-14-25(31-21-4-5-21)35-27(33-22)19(15-29-35)12-18-13-26(36)30-17(18)2;1-16-17(12-25(34)29-16)11-18-14-28-33-24(30-19-6-7-19)13-21(31-26(18)33)22-8-9-23(37-22)27(35)32-10-4-3-5-20(32)15-36-2;1-15-17(11-24(34)30-15)10-18-14-29-33-23(31-19-2-3-19)12-20(32-25(18)33)21-4-5-22(36-21)26(35)28-13-16-6-8-27-9-7-16;1-15-18(30-25(36)27-15)12-16-14-26-33-22(28-17-2-3-17)13-19(29-23(16)33)20-4-5-21(37-20)24(35)32-8-6-31(7-9-32)10-11-34/h6-7,12,14-15,20-21,31H,2-5,8-11,13,16H2,1H3,(H,30,36)(H,32,37);8-9,11,13-14,19-20,30H,1,3-7,10,12,15H2,2H3,(H,29,34);4-10,12,14,19,31H,1-3,11,13H2,(H,28,35)(H,30,34);4-5,12-14,17,28,34H,1-3,6-11H2,(H2,27,30,36)/b18-12+;17-11+;17-10+;18-12-
InChIKeyLSYQQTQZVNDQNI-UBFYJPJVSA-N
MW2084.53 g/mol
LogP11.19
Rot. Bonds30

About (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

(4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 159447664) has the molecular formula C106H114N28O11S4 and a molecular weight of 2084.53 g/mol. Its IUPAC name is (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name(4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID159447664
Molecular FormulaC106H114N28O11S4
Molecular Weight2084.53 g/mol
Exact Mass2082.81
IUPAC Name(4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCCCC4COC)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NC(CC)CN4CCOCC4)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCc4ccncc4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCN(CCO)CC4)s3)nc12
InChIInChI=1S/C28H33N7O3S.C27H30N6O3S.C26H23N7O2S.C25H28N8O3S/c1-3-20(16-34-8-10-38-11-9-34)32-28(37)24-7-6-23(39-24)22-14-25(31-21-4-5-21)35-27(33-22)19(15-29-35)12-18-13-26(36)30-17(18)2;1-16-17(12-25(34)29-16)11-18-14-28-33-24(30-19-6-7-19)13-21(31-26(18)33)22-8-9-23(37-22)27(35)32-10-4-3-5-20(32)15-36-2;1-15-17(11-24(34)30-15)10-18-14-29-33-23(31-19-2-3-19)12-20(32-25(18)33)21-4-5-22(36-21)26(35)28-13-16-6-8-27-9-7-16;1-15-18(30-25(36)27-15)12-16-14-26-33-22(28-17-2-3-17)13-19(29-23(16)33)20-4-5-21(37-20)24(35)32-8-6-31(7-9-32)10-11-34/h6-7,12,14-15,20-21,31H,2-5,8-11,13,16H2,1H3,(H,30,36)(H,32,37);8-9,11,13-14,19-20,30H,1,3-7,10,12,15H2,2H3,(H,29,34);4-10,12,14,19,31H,1-3,11,13H2,(H,28,35)(H,30,34);4-5,12-14,17,28,34H,1-3,6-11H2,(H2,27,30,36)/b18-12+;17-11+;17-10+;18-12-
InChIKeyLSYQQTQZVNDQNI-UBFYJPJVSA-N
XLogP11.19
TPSA461.71 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.53
LogP ≤ 511.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide with MolForge

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Related Compounds

US10100058, Example 223
CID 134539602
US10100058, Example 253
CID 134540115
N-(2-aminoethyl)-5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;(4E)-4-[[7-(cyclopropylamino)-5-[5-(3,3-difluoropyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-piperidin-4-ylthiophene-2-carboxamide
CID 157116271
5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2-difluoroethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 157117631
(4Z)-4-[[5-[5-(azetidine-1-carbonyl)thiophen-2-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4-propan-2-ylpiperazine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157270872
(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(2,5-dihydropyrrole-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-fluoroazetidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-methylpyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157779490
N-(2-aminoethyl)-5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;(4E)-4-[[7-(cyclopropylamino)-5-[5-(3,3-difluoropyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-piperidin-4-ylthiophene-2-carboxamide
CID 158013593
(3-Hydroxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-(2-methoxyethyl)piperazin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-2-carboxylic acid;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 158327839
(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-fluoroazetidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(3-methylpyrrolidine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 158482840
5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-hydroxypropyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide;4-[[7-cyclopropylimino-5-[5-[(3R)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one;4-[[7-cyclopropylimino-5-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 158722609
(4Z)-4-[[7-(cyclopropylamino)-5-[5-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(diethylamino)ethyl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(2,2-difluoroethyl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 158751016
(4Z)-4-[[5-[5-(azetidine-1-carbonyl)thiophen-2-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;N-tert-butyl-5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[3-(dimethylamino)propyl]-N-methylthiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 158821364

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 159447664) is (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCCCC4COC)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NC(CC)CN4CCOCC4)s3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)NCc4ccncc4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(C(=O)N4CCN(CCO)CC4)s3)nc12.
What is the InChIKey of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is LSYQQTQZVNDQNI-UBFYJPJVSA-N. The full InChI is InChI=1S/C28H33N7O3S.C27H30N6O3S.C26H23N7O2S.C25H28N8O3S/c1-3-20(16-34-8-10-38-11-9-34)32-28(37)24-7-6-23(39-24)22-14-25(31-21-4-5-21)35-27(33-22)19(15-29-35)12-18-13-26(36)30-17(18)2;1-16-17(12-25(34)29-16)11-18-14-28-33-24(30-19-6-7-19)13-21(31-26(18)33)22-8-9-23(37-22)27(35)32-10-4-3-5-20(32)15-36-2;1-15-17(11-24(34)30-15)10-18-14-29-33-23(31-19-2-3-19)12-20(32-25(18)33)21-4-5-22(36-21)26(35)28-13-16-6-8-27-9-7-16;1-15-18(30-25(36)27-15)12-16-14-26-33-22(28-17-2-3-17)13-19(29-23(16)33)20-4-5-21(37-20)24(35)32-8-6-31(7-9-32)10-11-34/h6-7,12,14-15,20-21,31H,2-5,8-11,13,16H2,1H3,(H,30,36)(H,32,37);8-9,11,13-14,19-20,30H,1,3-7,10,12,15H2,2H3,(H,29,34);4-10,12,14,19,31H,1-3,11,13H2,(H,28,35)(H,30,34);4-5,12-14,17,28,34H,1-3,6-11H2,(H2,27,30,36)/b18-12+;17-11+;17-10+;18-12-.
What are the key properties of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
(4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 2084.53 g/mol, XLogP of 11.19, 30 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[5-[2-(methoxymethyl)piperidine-1-carbonyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(1-morpholin-4-ylbutan-2-yl)thiophene-2-carboxamide;5-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 159447664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).