1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate

C211H226Br3F7N22O28S2 — CID 157456104

IUPAC1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(Br)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(Br)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(Br)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCC[C@H]4CO)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(F)(F)F)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)c4ccc(F)cc4)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(c4ccccc4)C(F)(F)F)cc3)n(C(C)C)c2c1
InChIInChI=1S/C30H28F3N3O4.C30H30FN3O4.C26H29BrN2O3.2C26H29N3O4S.C25H26F3N3O4.C24H28BrN3O2.C24H27BrN2O3/c1-19(2)36-26-17-23(39-16-15-38-3)13-14-24(26)25(18-34)27(36)20-9-11-22(12-10-20)35-29(37)40-28(30(31,32)33)21-7-5-4-6-8-21;1-19(2)34-28-17-25(37-16-15-36-4)13-14-26(28)27(18-32)29(34)22-7-11-24(12-8-22)33-30(35)38-20(3)21-5-9-23(31)10-6-21;1-3-31-21-12-13-22-23(14-21)29(15-17-4-5-17)25(24(22)27)19-8-10-20(11-9-19)28-26(30)32-16(2)18-6-7-18;2*1-2-33-21-10-13-23-24(16-27)26(29(25(23)15-21)19-5-3-6-19)18-8-11-22(12-9-18)34(31,32)28-14-4-7-20(28)17-30;1-15(2)31-22-13-19(34-12-11-33-4)9-10-20(22)21(14-29)23(31)17-5-7-18(8-6-17)30-24(32)35-16(3)25(26,27)28;1-4-30-19-11-12-20-21(13-19)28(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)27-24(29)26-15(2)3;1-4-29-19-11-12-20-21(13-19)27(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)26-24(28)30-15(2)3/h4-14,17,19,28H,15-16H2,1-3H3,(H,35,37);5-14,17,19-20H,15-16H2,1-4H3,(H,33,35);8-14,16-18H,3-7,15H2,1-2H3,(H,28,30);2*8-13,15,19-20,30H,2-7,14,17H2,1H3;5-10,13,15-16H,11-12H2,1-4H3,(H,30,32);7-13,15-16H,4-6,14H2,1-3H3,(H2,26,27,29);7-13,15-16H,4-6,14H2,1-3H3,(H,26,28)/t;;16-;2*20-;;;/m..110.../s1
InChIKeyBTJKGRFPRFTTKY-IXPRWFACSA-N
MW3955.09 g/mol
LogP50.53
Rot. Bonds62

About 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate

1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate (PubChem CID 157456104) has the molecular formula C211H226Br3F7N22O28S2 and a molecular weight of 3955.09 g/mol. Its IUPAC name is 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
PubChem CID157456104
Molecular FormulaC211H226Br3F7N22O28S2
Molecular Weight3955.09 g/mol
Exact Mass3949.38
IUPAC Name1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
SMILESCCOc1ccc2c(Br)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(Br)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(Br)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCC[C@H]4CO)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(F)(F)F)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)c4ccc(F)cc4)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(c4ccccc4)C(F)(F)F)cc3)n(C(C)C)c2c1
InChIInChI=1S/C30H28F3N3O4.C30H30FN3O4.C26H29BrN2O3.2C26H29N3O4S.C25H26F3N3O4.C24H28BrN3O2.C24H27BrN2O3/c1-19(2)36-26-17-23(39-16-15-38-3)13-14-24(26)25(18-34)27(36)20-9-11-22(12-10-20)35-29(37)40-28(30(31,32)33)21-7-5-4-6-8-21;1-19(2)34-28-17-25(37-16-15-36-4)13-14-26(28)27(18-32)29(34)22-7-11-24(12-8-22)33-30(35)38-20(3)21-5-9-23(31)10-6-21;1-3-31-21-12-13-22-23(14-21)29(15-17-4-5-17)25(24(22)27)19-8-10-20(11-9-19)28-26(30)32-16(2)18-6-7-18;2*1-2-33-21-10-13-23-24(16-27)26(29(25(23)15-21)19-5-3-6-19)18-8-11-22(12-9-18)34(31,32)28-14-4-7-20(28)17-30;1-15(2)31-22-13-19(34-12-11-33-4)9-10-20(22)21(14-29)23(31)17-5-7-18(8-6-17)30-24(32)35-16(3)25(26,27)28;1-4-30-19-11-12-20-21(13-19)28(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)27-24(29)26-15(2)3;1-4-29-19-11-12-20-21(13-19)27(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)26-24(28)30-15(2)3/h4-14,17,19,28H,15-16H2,1-3H3,(H,35,37);5-14,17,19-20H,15-16H2,1-4H3,(H,33,35);8-14,16-18H,3-7,15H2,1-2H3,(H,28,30);2*8-13,15,19-20,30H,2-7,14,17H2,1H3;5-10,13,15-16H,11-12H2,1-4H3,(H,30,32);7-13,15-16H,4-6,14H2,1-3H3,(H2,26,27,29);7-13,15-16H,4-6,14H2,1-3H3,(H,26,28)/t;;16-;2*20-;;;/m..110.../s1
InChIKeyBTJKGRFPRFTTKY-IXPRWFACSA-N
XLogP50.53
TPSA607.92 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds62
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003955.09
LogP ≤ 550.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157121571
6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1H-indol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate
CID 157327365
6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157850218
1-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 157953821
1-[4-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 158807412
1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 159035116
6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile
CID 159237837
6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 160466649
N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
CID 160874547
N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
CID 161778837
N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate
CID 161786655
1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;cyclobutyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopentylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;2-methylpentan-3-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;3-methylpentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;pentan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-3-yloxy)indol-2-yl]phenyl]carbamate
CID 161805192

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate (CID 157456104) is 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate is CCOc1ccc2c(Br)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(Br)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(Br)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(CC3CC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCC[C@@H]4CO)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCC[C@H]4CO)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(F)(F)F)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)c4ccc(F)cc4)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(c4ccccc4)C(F)(F)F)cc3)n(C(C)C)c2c1.
What is the InChIKey of 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
The InChIKey is BTJKGRFPRFTTKY-IXPRWFACSA-N. The full InChI is InChI=1S/C30H28F3N3O4.C30H30FN3O4.C26H29BrN2O3.2C26H29N3O4S.C25H26F3N3O4.C24H28BrN3O2.C24H27BrN2O3/c1-19(2)36-26-17-23(39-16-15-38-3)13-14-24(26)25(18-34)27(36)20-9-11-22(12-10-20)35-29(37)40-28(30(31,32)33)21-7-5-4-6-8-21;1-19(2)34-28-17-25(37-16-15-36-4)13-14-26(28)27(18-32)29(34)22-7-11-24(12-8-22)33-30(35)38-20(3)21-5-9-23(31)10-6-21;1-3-31-21-12-13-22-23(14-21)29(15-17-4-5-17)25(24(22)27)19-8-10-20(11-9-19)28-26(30)32-16(2)18-6-7-18;2*1-2-33-21-10-13-23-24(16-27)26(29(25(23)15-21)19-5-3-6-19)18-8-11-22(12-9-18)34(31,32)28-14-4-7-20(28)17-30;1-15(2)31-22-13-19(34-12-11-33-4)9-10-20(22)21(14-29)23(31)17-5-7-18(8-6-17)30-24(32)35-16(3)25(26,27)28;1-4-30-19-11-12-20-21(13-19)28(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)27-24(29)26-15(2)3;1-4-29-19-11-12-20-21(13-19)27(14-16-5-6-16)23(22(20)25)17-7-9-18(10-8-17)26-24(28)30-15(2)3/h4-14,17,19,28H,15-16H2,1-3H3,(H,35,37);5-14,17,19-20H,15-16H2,1-4H3,(H,33,35);8-14,16-18H,3-7,15H2,1-2H3,(H,28,30);2*8-13,15,19-20,30H,2-7,14,17H2,1H3;5-10,13,15-16H,11-12H2,1-4H3,(H,30,32);7-13,15-16H,4-6,14H2,1-3H3,(H2,26,27,29);7-13,15-16H,4-6,14H2,1-3H3,(H,26,28)/t;;16-;2*20-;;;/m..110.../s1.
What are the key properties of 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate?
1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate has a molecular weight of 3955.09 g/mol, XLogP of 50.53, 62 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-6-ethoxy-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-bromo-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157456104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).