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

C174H199BrF3N25O24 — CID 158731478

IUPAC2-[(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
SMILESC.CC(=O)/C=C\C(=O)O.COc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c4c(c2C)C(=O)N(CC(O)CN2CCCCC2)CC4)C(=O)N3)cc1.COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CC(O)CN1CCCCC1)CC3)C(=O)N2.Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CC(O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4c(F)cccc4F)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(Br)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2
InChIInChI=1S/C32H36N4O4.C31H32F2N4O3.C30H33N5O3.C26H32N4O4.C25H29BrN4O3.C24H27FN4O4.C5H6O3.CH4/c1-20-29(33-28-12-15-36(32(39)30(20)28)19-23(37)18-35-13-4-3-5-14-35)17-26-25-16-22(8-11-27(25)34-31(26)38)21-6-9-24(40-2)10-7-21;1-18-26(34-25-11-14-37(31(40)27(18)25)17-19(38)16-36-12-3-2-4-13-36)15-21-28-20(7-5-10-24(28)35-30(21)39)29-22(32)8-6-9-23(29)33;1-19-26(16-23-28-22(20-8-11-31-12-9-20)6-5-7-24(28)33-29(23)37)32-25-10-15-35(30(38)27(19)25)18-21(36)17-34-13-3-2-4-14-34;1-16-23(13-20-19-12-18(34-2)6-7-21(19)28-25(20)32)27-22-8-11-30(26(33)24(16)22)15-17(31)14-29-9-4-3-5-10-29;1-15-21(12-17-23-18(26)6-5-7-19(23)28-24(17)32)27-20-8-11-30(25(33)22(15)20)14-16(31)13-29-9-3-2-4-10-29;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;1-4(6)2-3-5(7)8;/h6-11,16-17,23,33,37H,3-5,12-15,18-19H2,1-2H3,(H,34,38);5-10,15,19,34,38H,2-4,11-14,16-17H2,1H3,(H,35,39);5-9,11-12,16,21,32,36H,2-4,10,13-15,17-18H2,1H3,(H,33,37);6-7,12-13,17,27,31H,3-5,8-11,14-15H2,1-2H3,(H,28,32);5-7,12,16,27,31H,2-4,8-11,13-14H2,1H3,(H,28,32);2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31);2-3H,1H3,(H,7,8);1H4/b26-17-;21-15-;23-16-;20-13-;17-12-;18-11-;3-2-;
InChIKeyILDOYCAFBVGWEN-QAFSUVFUSA-N
MW3161.55 g/mol
LogP21.26
Rot. Bonds37

About 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

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 (PubChem CID 158731478) has the molecular formula C174H199BrF3N25O24 and a molecular weight of 3161.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID158731478
Molecular FormulaC174H199BrF3N25O24
Molecular Weight3161.55 g/mol
Exact Mass3158.43
IUPAC Name2-[(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
SMILESC.CC(=O)/C=C\C(=O)O.COc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c4c(c2C)C(=O)N(CC(O)CN2CCCCC2)CC4)C(=O)N3)cc1.COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CC(O)CN1CCCCC1)CC3)C(=O)N2.Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CC(O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4c(F)cccc4F)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(Br)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2
InChIInChI=1S/C32H36N4O4.C31H32F2N4O3.C30H33N5O3.C26H32N4O4.C25H29BrN4O3.C24H27FN4O4.C5H6O3.CH4/c1-20-29(33-28-12-15-36(32(39)30(20)28)19-23(37)18-35-13-4-3-5-14-35)17-26-25-16-22(8-11-27(25)34-31(26)38)21-6-9-24(40-2)10-7-21;1-18-26(34-25-11-14-37(31(40)27(18)25)17-19(38)16-36-12-3-2-4-13-36)15-21-28-20(7-5-10-24(28)35-30(21)39)29-22(32)8-6-9-23(29)33;1-19-26(16-23-28-22(20-8-11-31-12-9-20)6-5-7-24(28)33-29(23)37)32-25-10-15-35(30(38)27(19)25)18-21(36)17-34-13-3-2-4-14-34;1-16-23(13-20-19-12-18(34-2)6-7-21(19)28-25(20)32)27-22-8-11-30(26(33)24(16)22)15-17(31)14-29-9-4-3-5-10-29;1-15-21(12-17-23-18(26)6-5-7-19(23)28-24(17)32)27-20-8-11-30(25(33)22(15)20)14-16(31)13-29-9-3-2-4-10-29;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;1-4(6)2-3-5(7)8;/h6-11,16-17,23,33,37H,3-5,12-15,18-19H2,1-2H3,(H,34,38);5-10,15,19,34,38H,2-4,11-14,16-17H2,1H3,(H,35,39);5-9,11-12,16,21,32,36H,2-4,10,13-15,17-18H2,1H3,(H,33,37);6-7,12-13,17,27,31H,3-5,8-11,14-15H2,1-2H3,(H,28,32);5-7,12,16,27,31H,2-4,8-11,13-14H2,1H3,(H,28,32);2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31);2-3H,1H3,(H,7,8);1H4/b26-17-;21-15-;23-16-;20-13-;17-12-;18-11-;3-2-;
InChIKeyILDOYCAFBVGWEN-QAFSUVFUSA-N
XLogP21.26
TPSA626.97 Ų
H-Bond Donors19
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003161.55
LogP ≤ 521.26
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1030

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-(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 with MolForge

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Related Compounds

2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 157066003
7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 157101749
7-(4-bromo-3-methylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one;6-(4-ethoxyphenyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one;ethyl 4-(3-oxo-1H-pyrrolo[3,4-c]pyridin-2-yl)benzoate;2-(2-fluorophenyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-hydroxy-2-(2-methoxyethyl)-3-oxo-1H-isoindole-5-carboxylic acid;2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one;(2R)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid;(2S)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetic acid
CID 158182910
ethyl 9-bromo-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethenyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;9-ethyl-3-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;9-ethyl-3-(3-fluorophenyl)-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid
CID 159170271
8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide;6-methoxy-1-methyl-3,4-dihydroisoquinolin-7-ol
CID 159770738
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
2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;6-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione;2-[2-(4-methylphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 161297692
N-[(3Z)-5-fluoro-3-[[5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-hydroxy-2-methylpropanamide;N-[(3Z)-5-fluoro-3-[[5-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-2-methoxyacetamide;5-[(2S)-2-hydroxy-3-morpholin-4-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-[(2R)-2-hydroxy-3-morpholin-4-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
CID 161440818
6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline;8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;ethyl 3-bromo-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
CID 162055686

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(=O)/C=C\C(=O)O.COc1ccc(-c2ccc3c(c2)/C(=C/c2[nH]c4c(c2C)C(=O)N(CC(O)CN2CCCCC2)CC4)C(=O)N3)cc1.COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(CC(O)CN1CCCCC1)CC3)C(=O)N2.Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CC(O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4c(F)cccc4F)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(Br)c32)[nH]c2c1C(=O)N(CC(O)CN1CCCCC1)CC2.
What is the InChIKey of 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?
The InChIKey is ILDOYCAFBVGWEN-QAFSUVFUSA-N. The full InChI is InChI=1S/C32H36N4O4.C31H32F2N4O3.C30H33N5O3.C26H32N4O4.C25H29BrN4O3.C24H27FN4O4.C5H6O3.CH4/c1-20-29(33-28-12-15-36(32(39)30(20)28)19-23(37)18-35-13-4-3-5-14-35)17-26-25-16-22(8-11-27(25)34-31(26)38)21-6-9-24(40-2)10-7-21;1-18-26(34-25-11-14-37(31(40)27(18)25)17-19(38)16-36-12-3-2-4-13-36)15-21-28-20(7-5-10-24(28)35-30(21)39)29-22(32)8-6-9-23(29)33;1-19-26(16-23-28-22(20-8-11-31-12-9-20)6-5-7-24(28)33-29(23)37)32-25-10-15-35(30(38)27(19)25)18-21(36)17-34-13-3-2-4-14-34;1-16-23(13-20-19-12-18(34-2)6-7-21(19)28-25(20)32)27-22-8-11-30(26(33)24(16)22)15-17(31)14-29-9-4-3-5-10-29;1-15-21(12-17-23-18(26)6-5-7-19(23)28-24(17)32)27-20-8-11-30(25(33)22(15)20)14-16(31)13-29-9-3-2-4-10-29;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;1-4(6)2-3-5(7)8;/h6-11,16-17,23,33,37H,3-5,12-15,18-19H2,1-2H3,(H,34,38);5-10,15,19,34,38H,2-4,11-14,16-17H2,1H3,(H,35,39);5-9,11-12,16,21,32,36H,2-4,10,13-15,17-18H2,1H3,(H,33,37);6-7,12-13,17,27,31H,3-5,8-11,14-15H2,1-2H3,(H,28,32);5-7,12,16,27,31H,2-4,8-11,13-14H2,1H3,(H,28,32);2-3,10-11,16,26,30H,4-9,12-13H2,1H3,(H,27,31);2-3H,1H3,(H,7,8);1H4/b26-17-;21-15-;23-16-;20-13-;17-12-;18-11-;3-2-;.
What are the key properties of 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?
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 has a molecular weight of 3161.55 g/mol, XLogP of 21.26, 37 rotatable bonds, 19 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158731478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).