(3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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

C210H207N37O14S8 — CID 159829235

IUPAC(3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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
SMILESCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C)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
InChIInChI=1S/C30H32N6O2S.C30H29N5O2S.C29H28N6O2S.C26H31N5O2S.C25H27N5O2S.C25H21N3OS.C24H20N4OS.C21H19N3O2S/c1-5-36(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;1-6-31(7-2)11-10-27-26(33)24-15(3)22(28-16(24)4)13-20-19-12-18(23-14-34-17(5)29-23)8-9-21(19)30-25(20)32;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;1-10-18(22-11(2)20(10)12(3)25)8-16-15-7-14(19-9-27-13(4)23-19)5-6-17(15)24-21(16)26/h7-11,14-17,33H,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);8-9,12-14,28H,6-7,10-11H2,1-5H3,(H,27,33)(H,30,32);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);5-9,22H,1-4H3,(H,24,26)/b23-15-;23-16-;22-14-;20-13-;19-12-;20-12-;19-10-;16-8-
InChIKeyNNGAYBMGWFONKQ-JKEVTAJVSA-N
MW3729.75 g/mol
LogP40.55
Rot. Bonds37

About (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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

(3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 159829235) has the molecular formula C210H207N37O14S8 and a molecular weight of 3729.75 g/mol. Its IUPAC name is (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 Name(3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 CID159829235
Molecular FormulaC210H207N37O14S8
Molecular Weight3729.75 g/mol
Exact Mass3726.44
IUPAC Name(3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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
SMILESCC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C)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
InChIInChI=1S/C30H32N6O2S.C30H29N5O2S.C29H28N6O2S.C26H31N5O2S.C25H27N5O2S.C25H21N3OS.C24H20N4OS.C21H19N3O2S/c1-5-36(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;1-6-31(7-2)11-10-27-26(33)24-15(3)22(28-16(24)4)13-20-19-12-18(23-14-34-17(5)29-23)8-9-21(19)30-25(20)32;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;1-10-18(22-11(2)20(10)12(3)25)8-16-15-7-14(19-9-27-13(4)23-19)5-6-17(15)24-21(16)26/h7-11,14-17,33H,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);8-9,12-14,28H,6-7,10-11H2,1-5H3,(H,27,33)(H,30,32);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);5-9,22H,1-4H3,(H,24,26)/b23-15-;23-16-;22-14-;20-13-;19-12-;20-12-;19-10-;16-8-
InChIKeyNNGAYBMGWFONKQ-JKEVTAJVSA-N
XLogP40.55
TPSA653.31 Ų
H-Bond Donors18
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003729.75
LogP ≤ 540.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1038

Analyze (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 159829235) is (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 CC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccnc5)n4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(C)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.
What is the InChIKey of (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 NNGAYBMGWFONKQ-JKEVTAJVSA-N. The full InChI is InChI=1S/C30H32N6O2S.C30H29N5O2S.C29H28N6O2S.C26H31N5O2S.C25H27N5O2S.C25H21N3OS.C24H20N4OS.C21H19N3O2S/c1-5-36(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;1-6-31(7-2)11-10-27-26(33)24-15(3)22(28-16(24)4)13-20-19-12-18(23-14-34-17(5)29-23)8-9-21(19)30-25(20)32;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;1-10-18(22-11(2)20(10)12(3)25)8-16-15-7-14(19-9-27-13(4)23-19)5-6-17(15)24-21(16)26/h7-11,14-17,33H,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);8-9,12-14,28H,6-7,10-11H2,1-5H3,(H,27,33)(H,30,32);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);5-9,22H,1-4H3,(H,24,26)/b23-15-;23-16-;22-14-;20-13-;19-12-;20-12-;19-10-;16-8-.
What are the key properties of (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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?
(3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 3729.75 g/mol, XLogP of 40.55, 37 rotatable bonds, 18 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[5-(2-methyl-1,3-thiazol-4-yl)-2-oxo-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;(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 159829235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).