(4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C119H127ClN32O7 — CID 161285500

IUPAC(4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(N[C@@H](C)c4ccc(OC)cc4)nc23)C(=O)N1.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(CC)c3ccccc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3N3CCOCC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N[C@@H](C)c3cccc(Cl)c3)nc12
InChIInChI=1S/C26H29N7O2.C24H26N6O2.C24H26N6O.C23H23ClN6O.C22H23N7O/c1-17-19(13-25(34)29-17)12-20-16-28-33-24(30-21-6-7-21)14-23(31-26(20)33)27-15-18-4-2-3-5-22(18)32-8-10-35-11-9-32;1-14-10-17(24(31)26-14)11-18-13-25-30-22(28-19-6-7-19)12-21(29-23(18)30)27-15(2)16-4-8-20(32-3)9-5-16;1-3-20(16-7-5-4-6-8-16)28-21-13-22(27-19-9-10-19)30-24(29-21)18(14-25-30)11-17-12-23(31)26-15(17)2;1-13(15-4-3-5-18(24)9-15)26-20-11-21(28-19-6-7-19)30-23(29-20)17(12-25-30)8-16-10-22(31)27-14(16)2;1-13-15(10-21(30)26-13)9-16-12-24-29-20(27-17-6-7-17)11-19(28-22(16)29)25-14(2)18-5-3-4-8-23-18/h2-5,12,14,16,21,30H,1,6-11,13,15H2,(H,27,31)(H,29,34);4-5,8-9,11-13,15,19,28H,1,6-7,10H2,2-3H3,(H,26,31)(H,27,29);4-8,11,13-14,19-20,27H,2-3,9-10,12H2,1H3,(H,26,31)(H,28,29);3-5,8-9,11-13,19,28H,2,6-7,10H2,1H3,(H,26,29)(H,27,31);3-5,8-9,11-12,14,17,27H,1,6-7,10H2,2H3,(H,25,28)(H,26,30)/b19-12+;2*17-11+;16-8+;15-9+/t;15-;;13-;/m.0.0./s1
InChIKeyVFQWDSDCXAGONA-AMARFKEPSA-N
MW2152.99 g/mol
LogP19.19
Rot. Bonds33

About (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

(4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 161285500) has the molecular formula C119H127ClN32O7 and a molecular weight of 2152.99 g/mol. Its IUPAC name is (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID161285500
Molecular FormulaC119H127ClN32O7
Molecular Weight2152.99 g/mol
Exact Mass2151.03
IUPAC Name(4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1C/C(=C\c2cnn3c(NC4CC4)cc(N[C@@H](C)c4ccc(OC)cc4)nc23)C(=O)N1.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(CC)c3ccccc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3N3CCOCC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N[C@@H](C)c3cccc(Cl)c3)nc12
InChIInChI=1S/C26H29N7O2.C24H26N6O2.C24H26N6O.C23H23ClN6O.C22H23N7O/c1-17-19(13-25(34)29-17)12-20-16-28-33-24(30-21-6-7-21)14-23(31-26(20)33)27-15-18-4-2-3-5-22(18)32-8-10-35-11-9-32;1-14-10-17(24(31)26-14)11-18-13-25-30-22(28-19-6-7-19)12-21(29-23(18)30)27-15(2)16-4-8-20(32-3)9-5-16;1-3-20(16-7-5-4-6-8-16)28-21-13-22(27-19-9-10-19)30-24(29-21)18(14-25-30)11-17-12-23(31)26-15(17)2;1-13(15-4-3-5-18(24)9-15)26-20-11-21(28-19-6-7-19)30-23(29-20)17(12-25-30)8-16-10-22(31)27-14(16)2;1-13-15(10-21(30)26-13)9-16-12-24-29-20(27-17-6-7-17)11-19(28-22(16)29)25-14(2)18-5-3-4-8-23-18/h2-5,12,14,16,21,30H,1,6-11,13,15H2,(H,27,31)(H,29,34);4-5,8-9,11-13,15,19,28H,1,6-7,10H2,2-3H3,(H,26,31)(H,27,29);4-8,11,13-14,19-20,27H,2-3,9-10,12H2,1H3,(H,26,31)(H,28,29);3-5,8-9,11-13,19,28H,2,6-7,10H2,1H3,(H,26,29)(H,27,31);3-5,8-9,11-12,14,17,27H,1,6-7,10H2,2H3,(H,25,28)(H,26,30)/b19-12+;2*17-11+;16-8+;15-9+/t;15-;;13-;/m.0.0./s1
InChIKeyVFQWDSDCXAGONA-AMARFKEPSA-N
XLogP19.19
TPSA451.34 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002152.99
LogP ≤ 519.19
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 158240427
(4Z)-4-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;3-[[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]benzonitrile;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 158802441
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
5-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158871886
(4E)-4-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;3-[[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]benzonitrile;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 159859187
3-chloro-N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;5-pyridin-4-yl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide
CID 160331095
(3E)-3-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-(4-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(dimethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 160735507
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methylphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160749355
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide
CID 161126038
5-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-ethyl-4-pyridinyl)-5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-ethyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161241655
N-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161856274
(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 162169435

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 161285500) is (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1C/C(=C\c2cnn3c(NC4CC4)cc(N[C@@H](C)c4ccc(OC)cc4)nc23)C(=O)N1.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccccn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(CC)c3ccccc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3N3CCOCC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N[C@@H](C)c3cccc(Cl)c3)nc12.
What is the InChIKey of (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is VFQWDSDCXAGONA-AMARFKEPSA-N. The full InChI is InChI=1S/C26H29N7O2.C24H26N6O2.C24H26N6O.C23H23ClN6O.C22H23N7O/c1-17-19(13-25(34)29-17)12-20-16-28-33-24(30-21-6-7-21)14-23(31-26(20)33)27-15-18-4-2-3-5-22(18)32-8-10-35-11-9-32;1-14-10-17(24(31)26-14)11-18-13-25-30-22(28-19-6-7-19)12-21(29-23(18)30)27-15(2)16-4-8-20(32-3)9-5-16;1-3-20(16-7-5-4-6-8-16)28-21-13-22(27-19-9-10-19)30-24(29-21)18(14-25-30)11-17-12-23(31)26-15(17)2;1-13(15-4-3-5-18(24)9-15)26-20-11-21(28-19-6-7-19)30-23(29-20)17(12-25-30)8-16-10-22(31)27-14(16)2;1-13-15(10-21(30)26-13)9-16-12-24-29-20(27-17-6-7-17)11-19(28-22(16)29)25-14(2)18-5-3-4-8-23-18/h2-5,12,14,16,21,30H,1,6-11,13,15H2,(H,27,31)(H,29,34);4-5,8-9,11-13,15,19,28H,1,6-7,10H2,2-3H3,(H,26,31)(H,27,29);4-8,11,13-14,19-20,27H,2-3,9-10,12H2,1H3,(H,26,31)(H,28,29);3-5,8-9,11-13,19,28H,2,6-7,10H2,1H3,(H,26,29)(H,27,31);3-5,8-9,11-12,14,17,27H,1,6-7,10H2,2H3,(H,25,28)(H,26,30)/b19-12+;2*17-11+;16-8+;15-9+/t;15-;;13-;/m.0.0./s1.
What are the key properties of (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2152.99 g/mol, XLogP of 19.19, 33 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-phenylpropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(1-pyridin-2-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 161285500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).