N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C214H207N37O15S8 — CID 159006961

IUPACN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1nc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)N4CCN(C)CC4)c2C)C(=O)N3)cs1.Cc1nc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)O)c2C)C(=O)N3)cs1
InChIInChI=1S/C31H33N5O2S.C30H32N6O2S.C30H29N5O2S.C29H28N6O2S.C25H27N5O2S.C25H21N3OS.C24H20N4OS.C20H17N3O3S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21;1-5-36(6-2)13-12-32-29(38)27-18(3)25(33-19(27)4)15-23-22-14-20(9-10-24(22)34-28(23)37)26-17-39-30(35-26)21-8-7-11-31-16-21;1-18-25(31-19(2)27(18)30(37)35-13-11-34(3)12-14-35)16-23-22-15-21(9-10-24(22)32-28(23)36)26-17-38-29(33-26)20-7-5-4-6-8-20;1-17-24(31-18(2)26(17)29(37)35-11-9-34(3)10-12-35)14-22-21-13-19(6-7-23(21)32-27(22)36)25-16-38-28(33-25)20-5-4-8-30-15-20;1-14-21(26-15(2)23(14)25(32)30-9-7-29(4)8-10-30)12-19-18-11-17(22-13-33-16(3)27-22)5-6-20(18)28-24(19)31;1-14-15(2)22(26-16(14)3)12-20-19-11-18(9-10-21(19)27-24(20)29)23-13-30-25(28-23)17-7-5-4-6-8-17;1-13-14(2)21(26-15(13)3)10-19-18-9-16(6-7-20(18)27-23(19)29)22-12-30-24(28-22)17-5-4-8-25-11-17;1-9-16(21-10(2)18(9)20(25)26)7-14-13-6-12(17-8-27-11(3)22-17)4-5-15(13)23-19(14)24/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37);7-11,14-17,33H,5-6,12-13H2,1-4H3,(H,32,38)(H,34,37);4-10,15-17,31H,11-14H2,1-3H3,(H,32,36);4-8,13-16,31H,9-12H2,1-3H3,(H,32,36);5-6,11-13,26H,7-10H2,1-4H3,(H,28,31);4-13,26H,1-3H3,(H,27,29);4-12,26H,1-3H3,(H,27,29);4-8,21H,1-3H3,(H,23,24)(H,25,26)/b24-17-;23-15-;23-16-;22-14-;19-12-;20-12-;19-10-;14-7-
InChIKeyJSAQOUCNKHNBBH-MFIAMWNZSA-N
MW3793.79 g/mol
LogP41.41
Rot. Bonds38

About N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 159006961) has the molecular formula C214H207N37O15S8 and a molecular weight of 3793.79 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID159006961
Molecular FormulaC214H207N37O15S8
Molecular Weight3793.79 g/mol
Exact Mass3790.43
IUPAC NameN-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1nc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)N4CCN(C)CC4)c2C)C(=O)N3)cs1.Cc1nc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)O)c2C)C(=O)N3)cs1
InChIInChI=1S/C31H33N5O2S.C30H32N6O2S.C30H29N5O2S.C29H28N6O2S.C25H27N5O2S.C25H21N3OS.C24H20N4OS.C20H17N3O3S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21;1-5-36(6-2)13-12-32-29(38)27-18(3)25(33-19(27)4)15-23-22-14-20(9-10-24(22)34-28(23)37)26-17-39-30(35-26)21-8-7-11-31-16-21;1-18-25(31-19(2)27(18)30(37)35-13-11-34(3)12-14-35)16-23-22-15-21(9-10-24(22)32-28(23)36)26-17-38-29(33-26)20-7-5-4-6-8-20;1-17-24(31-18(2)26(17)29(37)35-11-9-34(3)10-12-35)14-22-21-13-19(6-7-23(21)32-27(22)36)25-16-38-28(33-25)20-5-4-8-30-15-20;1-14-21(26-15(2)23(14)25(32)30-9-7-29(4)8-10-30)12-19-18-11-17(22-13-33-16(3)27-22)5-6-20(18)28-24(19)31;1-14-15(2)22(26-16(14)3)12-20-19-11-18(9-10-21(19)27-24(20)29)23-13-30-25(28-23)17-7-5-4-6-8-17;1-13-14(2)21(26-15(13)3)10-19-18-9-16(6-7-20(18)27-23(19)29)22-12-30-24(28-22)17-5-4-8-25-11-17;1-9-16(21-10(2)18(9)20(25)26)7-14-13-6-12(17-8-27-11(3)22-17)4-5-15(13)23-19(14)24/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37);7-11,14-17,33H,5-6,12-13H2,1-4H3,(H,32,38)(H,34,37);4-10,15-17,31H,11-14H2,1-3H3,(H,32,36);4-8,13-16,31H,9-12H2,1-3H3,(H,32,36);5-6,11-13,26H,7-10H2,1-4H3,(H,28,31);4-13,26H,1-3H3,(H,27,29);4-12,26H,1-3H3,(H,27,29);4-8,21H,1-3H3,(H,23,24)(H,25,26)/b24-17-;23-15-;23-16-;22-14-;19-12-;20-12-;19-10-;14-7-
InChIKeyJSAQOUCNKHNBBH-MFIAMWNZSA-N
XLogP41.41
TPSA673.54 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds38
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003793.79
LogP ≤ 541.41
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

Analyze N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 159006961) is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1nc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)N4CCN(C)CC4)c2C)C(=O)N3)cs1.Cc1nc(-c2ccc3c(c2)/C(=C/c2[nH]c(C)c(C(=O)O)c2C)C(=O)N3)cs1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is JSAQOUCNKHNBBH-MFIAMWNZSA-N. The full InChI is InChI=1S/C31H33N5O2S.C30H32N6O2S.C30H29N5O2S.C29H28N6O2S.C25H27N5O2S.C25H21N3OS.C24H20N4OS.C20H17N3O3S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21;1-5-36(6-2)13-12-32-29(38)27-18(3)25(33-19(27)4)15-23-22-14-20(9-10-24(22)34-28(23)37)26-17-39-30(35-26)21-8-7-11-31-16-21;1-18-25(31-19(2)27(18)30(37)35-13-11-34(3)12-14-35)16-23-22-15-21(9-10-24(22)32-28(23)36)26-17-38-29(33-26)20-7-5-4-6-8-20;1-17-24(31-18(2)26(17)29(37)35-11-9-34(3)10-12-35)14-22-21-13-19(6-7-23(21)32-27(22)36)25-16-38-28(33-25)20-5-4-8-30-15-20;1-14-21(26-15(2)23(14)25(32)30-9-7-29(4)8-10-30)12-19-18-11-17(22-13-33-16(3)27-22)5-6-20(18)28-24(19)31;1-14-15(2)22(26-16(14)3)12-20-19-11-18(9-10-21(19)27-24(20)29)23-13-30-25(28-23)17-7-5-4-6-8-17;1-13-14(2)21(26-15(13)3)10-19-18-9-16(6-7-20(18)27-23(19)29)22-12-30-24(28-22)17-5-4-8-25-11-17;1-9-16(21-10(2)18(9)20(25)26)7-14-13-6-12(17-8-27-11(3)22-17)4-5-15(13)23-19(14)24/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37);7-11,14-17,33H,5-6,12-13H2,1-4H3,(H,32,38)(H,34,37);4-10,15-17,31H,11-14H2,1-3H3,(H,32,36);4-8,13-16,31H,9-12H2,1-3H3,(H,32,36);5-6,11-13,26H,7-10H2,1-4H3,(H,28,31);4-13,26H,1-3H3,(H,27,29);4-12,26H,1-3H3,(H,27,29);4-8,21H,1-3H3,(H,23,24)(H,25,26)/b24-17-;23-15-;23-16-;22-14-;19-12-;20-12-;19-10-;14-7-.
What are the key properties of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 3793.79 g/mol, XLogP of 41.41, 38 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 159006961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).