4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile

C151H149F4N15O16 — CID 158112816

IUPAC4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile
SMILESCOCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc3)n(C3CCC3)c2c1.COc1ccc(Nc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)cc1.N#Cc1c(-c2ccc(Nc3cccc(OC(F)(F)F)c3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C31H28F3N3O3.C31H30FN3O3.2C31H31N3O3.C27H29N3O4/c32-31(33,34)40-26-6-1-3-22(17-26)36-21-9-7-20(8-10-21)30-28(19-35)27-12-11-25(39-24-13-15-38-16-14-24)18-29(27)37(30)23-4-2-5-23;1-20(21-10-12-24(32)13-11-21)34-31(36)23-8-6-22(7-9-23)30-28(19-33)27-15-14-26(38-17-16-37-2)18-29(27)35(30)25-4-3-5-25;1-35-25-11-9-23(10-12-25)33-22-7-5-21(6-8-22)31-29(20-32)28-14-13-27(37-26-15-17-36-18-16-26)19-30(28)34(31)24-3-2-4-24;1-21(22-7-4-3-5-8-22)33-31(35)24-13-11-23(12-14-24)30-28(20-32)27-16-15-26(37-18-17-36-2)19-29(27)34(30)25-9-6-10-25;1-33-13-14-34-22-9-10-23-24(16-28)26(30(25(23)15-22)20-3-2-4-20)18-5-7-19(8-6-18)27(32)29-12-11-21(31)17-29/h1,3,6-12,17-18,23-24,36H,2,4-5,13-16H2;6-15,18,20,25H,3-5,16-17H2,1-2H3,(H,34,36);5-14,19,24,26,33H,2-4,15-18H2,1H3;3-5,7-8,11-16,19,21,25H,6,9-10,17-18H2,1-2H3,(H,33,35);5-10,15,20-21,31H,2-4,11-14,17H2,1H3/t;20-;;2*21-/m.1.01/s1
InChIKeyFQQJUVMXAFRLAG-URFORNJLSA-N
MW2505.93 g/mol
LogP32.44
Rot. Bonds39

About 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile

4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile (PubChem CID 158112816) has the molecular formula C151H149F4N15O16 and a molecular weight of 2505.93 g/mol. Its IUPAC name is 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile
PubChem CID158112816
Molecular FormulaC151H149F4N15O16
Molecular Weight2505.93 g/mol
Exact Mass2504.12
IUPAC Name4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile
SMILESCOCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc3)n(C3CCC3)c2c1.COc1ccc(Nc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)cc1.N#Cc1c(-c2ccc(Nc3cccc(OC(F)(F)F)c3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C31H28F3N3O3.C31H30FN3O3.2C31H31N3O3.C27H29N3O4/c32-31(33,34)40-26-6-1-3-22(17-26)36-21-9-7-20(8-10-21)30-28(19-35)27-12-11-25(39-24-13-15-38-16-14-24)18-29(27)37(30)23-4-2-5-23;1-20(21-10-12-24(32)13-11-21)34-31(36)23-8-6-22(7-9-23)30-28(19-33)27-15-14-26(38-17-16-37-2)18-29(27)35(30)25-4-3-5-25;1-35-25-11-9-23(10-12-25)33-22-7-5-21(6-8-22)31-29(20-32)28-14-13-27(37-26-15-17-36-18-16-26)19-30(28)34(31)24-3-2-4-24;1-21(22-7-4-3-5-8-22)33-31(35)24-13-11-23(12-14-24)30-28(20-32)27-16-15-26(37-18-17-36-2)19-29(27)34(30)25-9-6-10-25;1-33-13-14-34-22-9-10-23-24(16-28)26(30(25(23)15-22)20-3-2-4-20)18-5-7-19(8-6-18)27(32)29-12-11-21(31)17-29/h1,3,6-12,17-18,23-24,36H,2,4-5,13-16H2;6-15,18,20,25H,3-5,16-17H2,1-2H3,(H,34,36);5-14,19,24,26,33H,2-4,15-18H2,1H3;3-5,7-8,11-16,19,21,25H,6,9-10,17-18H2,1-2H3,(H,33,35);5-10,15,20-21,31H,2-4,11-14,17H2,1H3/t;20-;;2*21-/m.1.01/s1
InChIKeyFQQJUVMXAFRLAG-URFORNJLSA-N
XLogP32.44
TPSA377.16 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.93
LogP ≤ 532.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile with MolForge

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Related Compounds

2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-isocyanophenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 157101490
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-isocyanophenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 157101491
CID 157308718
CID 157308718
1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate
CID 157391673
CID 157612956
CID 157612956
CID 157655703
CID 157655703
1-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]aniline;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3R)-oxolan-3-yl]oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyclopropylethynyl)-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-iodoindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-ethoxyethoxy)indol-2-yl]phenyl]carbamate
CID 157683177
1-Cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindole-3-carboxylic acid;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]urea
CID 158276145
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]-2-methoxyacetamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-[2-(methylamino)ethyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 158544536
(2S)-2-[2-cyano-5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-4-methylphenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[3-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-5-(trifluoromethyl)phenoxy]propanoic acid;(2S)-2-[5-[[2,3-dimethyl-5-[[(1S)-1-(3-propan-2-ylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]-2-(trifluoromethyl)phenoxy]propanoic acid
CID 159147183
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate
CID 159462376
1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindole-3-carboxylic acid;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]urea
CID 159505397

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile?
The IUPAC name of 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile (CID 158112816) is 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile.
What is the SMILES notation for 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile?
The canonical SMILES for 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile is COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc3)n(C3CCC3)c2c1.COc1ccc(Nc2ccc(-c3c(C#N)c4ccc(OC5CCOCC5)cc4n3C3CCC3)cc2)cc1.N#Cc1c(-c2ccc(Nc3cccc(OC(F)(F)F)c3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.
What is the InChIKey of 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile?
The InChIKey is FQQJUVMXAFRLAG-URFORNJLSA-N. The full InChI is InChI=1S/C31H28F3N3O3.C31H30FN3O3.2C31H31N3O3.C27H29N3O4/c32-31(33,34)40-26-6-1-3-22(17-26)36-21-9-7-20(8-10-21)30-28(19-35)27-12-11-25(39-24-13-15-38-16-14-24)18-29(27)37(30)23-4-2-5-23;1-20(21-10-12-24(32)13-11-21)34-31(36)23-8-6-22(7-9-23)30-28(19-33)27-15-14-26(38-17-16-37-2)18-29(27)35(30)25-4-3-5-25;1-35-25-11-9-23(10-12-25)33-22-7-5-21(6-8-22)31-29(20-32)28-14-13-27(37-26-15-17-36-18-16-26)19-30(28)34(31)24-3-2-4-24;1-21(22-7-4-3-5-8-22)33-31(35)24-13-11-23(12-14-24)30-28(20-32)27-16-15-26(37-18-17-36-2)19-29(27)34(30)25-9-6-10-25;1-33-13-14-34-22-9-10-23-24(16-28)26(30(25(23)15-22)20-3-2-4-20)18-5-7-19(8-6-18)27(32)29-12-11-21(31)17-29/h1,3,6-12,17-18,23-24,36H,2,4-5,13-16H2;6-15,18,20,25H,3-5,16-17H2,1-2H3,(H,34,36);5-14,19,24,26,33H,2-4,15-18H2,1H3;3-5,7-8,11-16,19,21,25H,6,9-10,17-18H2,1-2H3,(H,33,35);5-10,15,20-21,31H,2-4,11-14,17H2,1H3/t;20-;;2*21-/m.1.01/s1.
What are the key properties of 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile?
4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile has a molecular weight of 2505.93 g/mol, XLogP of 32.44, 39 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 158112816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).