2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

C216H227BBrN25O20S7 — CID 158107309

IUPAC2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1ccc(-c2ccccc2)s1.C1COCCN1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c1C.CN1CCNCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)NCCN1CCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccc(-c4ccccc4)s3)ccc2N1
InChIInChI=1S/C32H32N4O2S.C32H34N4O2S.C31H30N4O2S.C30H27N3O3S.C26H20N2O3S.C18H13NOS.C14H18BNO3.C10H7BrS.C8H9NO3.C6H16N2.C5H12N2.C4H9NO/c1-20-27(34-21(2)30(20)32(38)33-14-17-36-15-6-7-16-36)19-25-24-18-23(10-11-26(24)35-31(25)37)29-13-12-28(39-29)22-8-4-3-5-9-22;1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22;1-19-26(32-20(2)29(19)31(37)35-15-13-34(3)14-16-35)18-24-23-17-22(9-10-25(23)33-30(24)36)28-12-11-27(38-28)21-7-5-4-6-8-21;1-18-25(31-19(2)28(18)30(35)33-12-14-36-15-13-33)17-23-22-16-21(8-9-24(22)32-29(23)34)27-11-10-26(37-27)20-6-4-3-5-7-20;1-14-21(27-15(2)24(14)26(30)31)13-19-18-12-17(8-9-20(18)28-25(19)29)23-11-10-22(32-23)16-6-4-3-5-7-16;20-18-11-14-10-13(6-7-15(14)19-18)17-9-8-16(21-17)12-4-2-1-3-5-12;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;11-10-7-6-9(12-10)8-4-2-1-3-5-8;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7;1-7-4-2-6-3-5-7;1-3-6-4-2-5-1/h3-5,8-13,18-19,34H,6-7,14-17H2,1-2H3,(H,33,38)(H,35,37);7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37);4-12,17-18,32H,13-16H2,1-3H3,(H,33,36);3-11,16-17,31H,12-15H2,1-2H3,(H,32,34);3-13,27H,1-2H3,(H,28,29)(H,30,31);1-10H,11H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);1-7H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3;6H,2-5H2,1H3;5H,1-4H2/b2*25-19-;24-18-;23-17-;19-13-;;;;;;;
InChIKeyFPZPIKMWDCBQES-PKFIYTOKSA-N
MW3808.53 g/mol
LogP41.85
Rot. Bonds38

About 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one

2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 158107309) has the molecular formula C216H227BBrN25O20S7 and a molecular weight of 3808.53 g/mol. Its IUPAC name is 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
PubChem CID158107309
Molecular FormulaC216H227BBrN25O20S7
Molecular Weight3808.53 g/mol
Exact Mass3804.48
IUPAC Name2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
SMILESBrc1ccc(-c2ccccc2)s1.C1COCCN1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c1C.CN1CCNCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)NCCN1CCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccc(-c4ccccc4)s3)ccc2N1
InChIInChI=1S/C32H32N4O2S.C32H34N4O2S.C31H30N4O2S.C30H27N3O3S.C26H20N2O3S.C18H13NOS.C14H18BNO3.C10H7BrS.C8H9NO3.C6H16N2.C5H12N2.C4H9NO/c1-20-27(34-21(2)30(20)32(38)33-14-17-36-15-6-7-16-36)19-25-24-18-23(10-11-26(24)35-31(25)37)29-13-12-28(39-29)22-8-4-3-5-9-22;1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22;1-19-26(32-20(2)29(19)31(37)35-15-13-34(3)14-16-35)18-24-23-17-22(9-10-25(23)33-30(24)36)28-12-11-27(38-28)21-7-5-4-6-8-21;1-18-25(31-19(2)28(18)30(35)33-12-14-36-15-13-33)17-23-22-16-21(8-9-24(22)32-29(23)34)27-11-10-26(37-27)20-6-4-3-5-7-20;1-14-21(27-15(2)24(14)26(30)31)13-19-18-12-17(8-9-20(18)28-25(19)29)23-11-10-22(32-23)16-6-4-3-5-7-16;20-18-11-14-10-13(6-7-15(14)19-18)17-9-8-16(21-17)12-4-2-1-3-5-12;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;11-10-7-6-9(12-10)8-4-2-1-3-5-8;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7;1-7-4-2-6-3-5-7;1-3-6-4-2-5-1/h3-5,8-13,18-19,34H,6-7,14-17H2,1-2H3,(H,33,38)(H,35,37);7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37);4-12,17-18,32H,13-16H2,1-3H3,(H,33,36);3-11,16-17,31H,12-15H2,1-2H3,(H,32,34);3-13,27H,1-2H3,(H,28,29)(H,30,31);1-10H,11H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);1-7H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3;6H,2-5H2,1H3;5H,1-4H2/b2*25-19-;24-18-;23-17-;19-13-;;;;;;;
InChIKeyFPZPIKMWDCBQES-PKFIYTOKSA-N
XLogP41.85
TPSA592.13 Ų
H-Bond Donors20
H-Bond Acceptors33
Rotatable Bonds38
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003808.53
LogP ≤ 541.85
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1033

Analyze 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one (CID 158107309) is 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is Brc1ccc(-c2ccccc2)s1.C1COCCN1.CC1(C)OB(c2ccc3c(c2)CC(=O)N3)OC1(C)C.CCN(CC)CCN.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c1C.CN1CCNCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCN(C)CC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCOCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)NCCN1CCCC1.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)O.Cc1[nH]c(C=O)c(C)c1C(=O)O.O=C1Cc2cc(-c3ccc(-c4ccccc4)s3)ccc2N1.
What is the InChIKey of 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is FPZPIKMWDCBQES-PKFIYTOKSA-N. The full InChI is InChI=1S/C32H32N4O2S.C32H34N4O2S.C31H30N4O2S.C30H27N3O3S.C26H20N2O3S.C18H13NOS.C14H18BNO3.C10H7BrS.C8H9NO3.C6H16N2.C5H12N2.C4H9NO/c1-20-27(34-21(2)30(20)32(38)33-14-17-36-15-6-7-16-36)19-25-24-18-23(10-11-26(24)35-31(25)37)29-13-12-28(39-29)22-8-4-3-5-9-22;1-5-36(6-2)17-16-33-32(38)30-20(3)27(34-21(30)4)19-25-24-18-23(12-13-26(24)35-31(25)37)29-15-14-28(39-29)22-10-8-7-9-11-22;1-19-26(32-20(2)29(19)31(37)35-15-13-34(3)14-16-35)18-24-23-17-22(9-10-25(23)33-30(24)36)28-12-11-27(38-28)21-7-5-4-6-8-21;1-18-25(31-19(2)28(18)30(35)33-12-14-36-15-13-33)17-23-22-16-21(8-9-24(22)32-29(23)34)27-11-10-26(37-27)20-6-4-3-5-7-20;1-14-21(27-15(2)24(14)26(30)31)13-19-18-12-17(8-9-20(18)28-25(19)29)23-11-10-22(32-23)16-6-4-3-5-7-16;20-18-11-14-10-13(6-7-15(14)19-18)17-9-8-16(21-17)12-4-2-1-3-5-12;1-13(2)14(3,4)19-15(18-13)10-5-6-11-9(7-10)8-12(17)16-11;11-10-7-6-9(12-10)8-4-2-1-3-5-8;1-4-6(3-10)9-5(2)7(4)8(11)12;1-3-8(4-2)6-5-7;1-7-4-2-6-3-5-7;1-3-6-4-2-5-1/h3-5,8-13,18-19,34H,6-7,14-17H2,1-2H3,(H,33,38)(H,35,37);7-15,18-19,34H,5-6,16-17H2,1-4H3,(H,33,38)(H,35,37);4-12,17-18,32H,13-16H2,1-3H3,(H,33,36);3-11,16-17,31H,12-15H2,1-2H3,(H,32,34);3-13,27H,1-2H3,(H,28,29)(H,30,31);1-10H,11H2,(H,19,20);5-7H,8H2,1-4H3,(H,16,17);1-7H;3,9H,1-2H3,(H,11,12);3-7H2,1-2H3;6H,2-5H2,1H3;5H,1-4H2/b2*25-19-;24-18-;23-17-;19-13-;;;;;;;.
What are the key properties of 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one?
2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 3808.53 g/mol, XLogP of 41.85, 38 rotatable bonds, 20 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenylthiophene;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N',N'-diethylethane-1,2-diamine;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(5-phenylthiophen-2-yl)-1H-indol-2-one;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid;2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenylthiophen-2-yl)-1H-indol-3-ylidene]methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid;1-methylpiperazine;morpholine;5-(5-phenylthiophen-2-yl)-1,3-dihydroindol-2-one;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 158107309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).