2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C113H124BrF3N16O21 — CID 161110226

IUPAC2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c4c(c2C)C(=O)N(C[C@@H](O)CN2CCOCC2)CC4)C(=O)N3)cc1.Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4c(F)cccc4F)c32)[nH]c2c1C(=O)N(C[C@@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(Br)c32)[nH]c2c1C(=O)N(C[C@@H](O)CN1CCOCC1)CC2.O=C(O)CCC(=O)O
InChIInChI=1S/C31H34N4O5.C30H30F2N4O4.C24H27BrN4O4.C24H27FN4O4.C4H6O4/c1-19-28(32-27-9-10-35(31(38)29(19)27)18-22(36)17-34-11-13-40-14-12-34)16-25-24-15-21(5-8-26(24)33-30(25)37)20-3-6-23(39-2)7-4-20;1-17-25(33-24-8-9-36(30(39)26(17)24)16-18(37)15-35-10-12-40-13-11-35)14-20-27-19(4-2-7-23(27)34-29(20)38)28-21(31)5-3-6-22(28)32;1-14-20(11-16-22-17(25)3-2-4-18(22)27-23(16)31)26-19-5-6-29(24(32)21(14)19)13-15(30)12-28-7-9-33-10-8-28;1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28;5-3(6)1-2-4(7)8/h3-8,15-16,22,32,36H,9-14,17-18H2,1-2H3,(H,33,37);2-7,14,18,33,37H,8-13,15-16H2,1H3,(H,34,38);2-4,11,15,26,30H,5-10,12-13H2,1H3,(H,27,31);2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31);1-2H2,(H,5,6)(H,7,8)/b25-16-;20-14-;16-11-;18-11-;/t22-;18-;15-;16-;/m0001./s1
InChIKeyUJPAWBKDYZMNTQ-KLDZHLAISA-N
MW2179.22 g/mol
LogP10.49
Rot. Bonds26

About 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 161110226) has the molecular formula C113H124BrF3N16O21 and a molecular weight of 2179.22 g/mol. Its IUPAC name is 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID161110226
Molecular FormulaC113H124BrF3N16O21
Molecular Weight2179.22 g/mol
Exact Mass2176.83
IUPAC Name2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c4c(c2C)C(=O)N(C[C@@H](O)CN2CCOCC2)CC4)C(=O)N3)cc1.Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4c(F)cccc4F)c32)[nH]c2c1C(=O)N(C[C@@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(Br)c32)[nH]c2c1C(=O)N(C[C@@H](O)CN1CCOCC1)CC2.O=C(O)CCC(=O)O
InChIInChI=1S/C31H34N4O5.C30H30F2N4O4.C24H27BrN4O4.C24H27FN4O4.C4H6O4/c1-19-28(32-27-9-10-35(31(38)29(19)27)18-22(36)17-34-11-13-40-14-12-34)16-25-24-15-21(5-8-26(24)33-30(25)37)20-3-6-23(39-2)7-4-20;1-17-25(33-24-8-9-36(30(39)26(17)24)16-18(37)15-35-10-12-40-13-11-35)14-20-27-19(4-2-7-23(27)34-29(20)38)28-21(31)5-3-6-22(28)32;1-14-20(11-16-22-17(25)3-2-4-18(22)27-23(16)31)26-19-5-6-29(24(32)21(14)19)13-15(30)12-28-7-9-33-10-8-28;1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28;5-3(6)1-2-4(7)8/h3-8,15-16,22,32,36H,9-14,17-18H2,1-2H3,(H,33,37);2-7,14,18,33,37H,8-13,15-16H2,1H3,(H,34,38);2-4,11,15,26,30H,5-10,12-13H2,1H3,(H,27,31);2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31);1-2H2,(H,5,6)(H,7,8)/b25-16-;20-14-;16-11-;18-11-;/t22-;18-;15-;16-;/m0001./s1
InChIKeyUJPAWBKDYZMNTQ-KLDZHLAISA-N
XLogP10.49
TPSA475.43 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.22
LogP ≤ 510.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-(2-hydroxy-3-piperidin-1-ylpropyl)-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-(2-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-2-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;methane;(Z)-4-oxopent-2-enoic acid
CID 158731478

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 161110226) is 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is COc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c4c(c2C)C(=O)N(C[C@@H](O)CN2CCOCC2)CC4)C(=O)N3)cc1.Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4c(F)cccc4F)c32)[nH]c2c1C(=O)N(C[C@@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(Br)c32)[nH]c2c1C(=O)N(C[C@@H](O)CN1CCOCC1)CC2.O=C(O)CCC(=O)O.
What is the InChIKey of 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UJPAWBKDYZMNTQ-KLDZHLAISA-N. The full InChI is InChI=1S/C31H34N4O5.C30H30F2N4O4.C24H27BrN4O4.C24H27FN4O4.C4H6O4/c1-19-28(32-27-9-10-35(31(38)29(19)27)18-22(36)17-34-11-13-40-14-12-34)16-25-24-15-21(5-8-26(24)33-30(25)37)20-3-6-23(39-2)7-4-20;1-17-25(33-24-8-9-36(30(39)26(17)24)16-18(37)15-35-10-12-40-13-11-35)14-20-27-19(4-2-7-23(27)34-29(20)38)28-21(31)5-3-6-22(28)32;1-14-20(11-16-22-17(25)3-2-4-18(22)27-23(16)31)26-19-5-6-29(24(32)21(14)19)13-15(30)12-28-7-9-33-10-8-28;1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28;5-3(6)1-2-4(7)8/h3-8,15-16,22,32,36H,9-14,17-18H2,1-2H3,(H,33,37);2-7,14,18,33,37H,8-13,15-16H2,1H3,(H,34,38);2-4,11,15,26,30H,5-10,12-13H2,1H3,(H,27,31);2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31);1-2H2,(H,5,6)(H,7,8)/b25-16-;20-14-;16-11-;18-11-;/t22-;18-;15-;16-;/m0001./s1.
What are the key properties of 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 2179.22 g/mol, XLogP of 10.49, 26 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;butanedioic acid;2-[(Z)-[4-(2,6-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one;5-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-[(Z)-[5-(4-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 161110226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).