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

C109H127F2N19O21 — CID 161440818

IUPACN-[(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
SMILESCOCC(=O)Nc1cc2c(cc1F)/C(=C/c1[nH]c3c(c1C)C(=O)N(C[C@H](O)CN1CCOCC1)CC3)C(=O)N2.COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(C[C@@H](O)CN1CCOCC1)CC3)C(=O)N2.Cc1c(/C=C2\C(=O)Nc3cc(NC(=O)C(C)(C)O)c(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2
InChIInChI=1S/C29H31N5O4.C28H34FN5O6.C27H32FN5O6.C25H30N4O5/c1-18-25(15-22-27-21(19-5-8-30-9-6-19)3-2-4-23(27)32-28(22)36)31-24-7-10-34(29(37)26(18)24)17-20(35)16-33-11-13-38-14-12-33;1-15-21(11-18-17-10-19(29)23(12-22(17)31-25(18)36)32-27(38)28(2,3)39)30-20-4-5-34(26(37)24(15)20)14-16(35)13-33-6-8-40-9-7-33;1-15-21(10-18-17-9-19(28)23(30-24(35)14-38-2)11-22(17)31-26(18)36)29-20-3-4-33(27(37)25(15)20)13-16(34)12-32-5-7-39-8-6-32;1-15-22(12-19-18-11-17(33-2)3-4-20(18)27-24(19)31)26-21-5-6-29(25(32)23(15)21)14-16(30)13-28-7-9-34-10-8-28/h2-6,8-9,15,20,31,35H,7,10-14,16-17H2,1H3,(H,32,36);10-12,16,30,35,39H,4-9,13-14H2,1-3H3,(H,31,36)(H,32,38);9-11,16,29,34H,3-8,12-14H2,1-2H3,(H,30,35)(H,31,36);3-4,11-12,16,26,30H,5-10,13-14H2,1-2H3,(H,27,31)/b22-15-;18-11-;18-10-;19-12-/t20-;3*16-/m1110/s1
InChIKeyVZGCEGHVNNMVPT-ZPNQBVIOSA-N
MW2077.32 g/mol
LogP6.67
Rot. Bonds27

About 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

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 (PubChem CID 161440818) has the molecular formula C109H127F2N19O21 and a molecular weight of 2077.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID161440818
Molecular FormulaC109H127F2N19O21
Molecular Weight2077.32 g/mol
Exact Mass2075.94
IUPAC NameN-[(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
SMILESCOCC(=O)Nc1cc2c(cc1F)/C(=C/c1[nH]c3c(c1C)C(=O)N(C[C@H](O)CN1CCOCC1)CC3)C(=O)N2.COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(C[C@@H](O)CN1CCOCC1)CC3)C(=O)N2.Cc1c(/C=C2\C(=O)Nc3cc(NC(=O)C(C)(C)O)c(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2
InChIInChI=1S/C29H31N5O4.C28H34FN5O6.C27H32FN5O6.C25H30N4O5/c1-18-25(15-22-27-21(19-5-8-30-9-6-19)3-2-4-23(27)32-28(22)36)31-24-7-10-34(29(37)26(18)24)17-20(35)16-33-11-13-38-14-12-33;1-15-21(11-18-17-10-19(29)23(12-22(17)31-25(18)36)32-27(38)28(2,3)39)30-20-4-5-34(26(37)24(15)20)14-16(35)13-33-6-8-40-9-7-33;1-15-21(10-18-17-9-19(28)23(30-24(35)14-38-2)11-22(17)31-26(18)36)29-20-3-4-33(27(37)25(15)20)13-16(34)12-32-5-7-39-8-6-32;1-15-22(12-19-18-11-17(33-2)3-4-20(18)27-24(19)31)26-21-5-6-29(25(32)23(15)21)14-16(30)13-28-7-9-34-10-8-28/h2-6,8-9,15,20,31,35H,7,10-14,16-17H2,1H3,(H,32,36);10-12,16,30,35,39H,4-9,13-14H2,1-3H3,(H,31,36)(H,32,38);9-11,16,29,34H,3-8,12-14H2,1-2H3,(H,30,35)(H,31,36);3-4,11-12,16,26,30H,5-10,13-14H2,1-2H3,(H,27,31)/b22-15-;18-11-;18-10-;19-12-/t20-;3*16-/m1110/s1
InChIKeyVZGCEGHVNNMVPT-ZPNQBVIOSA-N
XLogP6.67
TPSA501.38 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002077.32
LogP ≤ 56.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[2-[[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[2-[2-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 167558654
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
5-Amino-1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-[4-(cyclopentylmethyl)piperazin-1-yl]anilino]-5-fluoropyrimidin-4-yl]indole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide;1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-hydroxyindole-3-carboxamide;1-[5-fluoro-2-[3-[4-(oxolane-2-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-2-[3-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxyindole-3-carboxamide
CID 159949561
CID 160405407
CID 160405407
3-amino-N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]benzamide;3-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;3-cyclohexyl-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2R)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2S)-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide;(2R)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
CID 160539708
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethanol;7-[6-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]-5H-pyrido[4,3-b]indole;4-fluoro-2-(6-oxopiperidin-3-yl)isoindole-1,3-dione;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methanol;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 160895804
2-[[(2R,5R)-1-[2-(3,3-dimethyl-6-pentan-2-yl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3H-isoindol-1-one;4-ethyl-1-[[(2R,5R)-1-[2-[6-[(4-fluoro-2-methylphenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one;6-ethyl-4-[[(2R,5R)-1-[2-[6-(2-fluoropentan-2-yl)-3,3-dimethyl-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]morpholin-3-one;2-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indol-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-5-methoxy-3H-isoindol-1-one
CID 162027921
4-amino-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;2-(6-oxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3H-isoindol-1-one;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde;2-[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 167604661

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCC(=O)Nc1cc2c(cc1F)/C(=C/c1[nH]c3c(c1C)C(=O)N(C[C@H](O)CN1CCOCC1)CC3)C(=O)N2.COc1ccc2c(c1)/C(=C/c1[nH]c3c(c1C)C(=O)N(C[C@@H](O)CN1CCOCC1)CC3)C(=O)N2.Cc1c(/C=C2\C(=O)Nc3cc(NC(=O)C(C)(C)O)c(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.Cc1c(/C=C2\C(=O)Nc3cccc(-c4ccncc4)c32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2.
What is the InChIKey of 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?
The InChIKey is VZGCEGHVNNMVPT-ZPNQBVIOSA-N. The full InChI is InChI=1S/C29H31N5O4.C28H34FN5O6.C27H32FN5O6.C25H30N4O5/c1-18-25(15-22-27-21(19-5-8-30-9-6-19)3-2-4-23(27)32-28(22)36)31-24-7-10-34(29(37)26(18)24)17-20(35)16-33-11-13-38-14-12-33;1-15-21(11-18-17-10-19(29)23(12-22(17)31-25(18)36)32-27(38)28(2,3)39)30-20-4-5-34(26(37)24(15)20)14-16(35)13-33-6-8-40-9-7-33;1-15-21(10-18-17-9-19(28)23(30-24(35)14-38-2)11-22(17)31-26(18)36)29-20-3-4-33(27(37)25(15)20)13-16(34)12-32-5-7-39-8-6-32;1-15-22(12-19-18-11-17(33-2)3-4-20(18)27-24(19)31)26-21-5-6-29(25(32)23(15)21)14-16(30)13-28-7-9-34-10-8-28/h2-6,8-9,15,20,31,35H,7,10-14,16-17H2,1H3,(H,32,36);10-12,16,30,35,39H,4-9,13-14H2,1-3H3,(H,31,36)(H,32,38);9-11,16,29,34H,3-8,12-14H2,1-2H3,(H,30,35)(H,31,36);3-4,11-12,16,26,30H,5-10,13-14H2,1-2H3,(H,27,31)/b22-15-;18-11-;18-10-;19-12-/t20-;3*16-/m1110/s1.
What are the key properties of 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?
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 has a molecular weight of 2077.32 g/mol, XLogP of 6.67, 27 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161440818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).