[4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C270H295F3N42O35S5 — CID 158442165

IUPAC[4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C(F)(F)F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N(C)CCOC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CCn1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.CCn1nnnc1COc1ccc2c(C#N)c(-c3ccc(NC(=O)O)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(C)(C)C)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)Oc4ccccc4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C28H28F3N3O4.C28H32N4O3S.C28H27N3O4.C28H35N3O4.C27H29N7O3.C27H30N4O4S.C27H32N4O4S.C27H30N4O3S.C26H29N3O3S.C24H23N7O3/c1-17(28(29,30)31)37-27(35)33-19-7-5-18(6-8-19)26-24(16-32)23-10-9-22(38-21-11-13-36-14-12-21)15-25(23)34(26)20-3-2-4-20;1-2-17-36(34,35)30-22-12-9-20(10-13-22)27-25(19-29)24-14-11-21(28(33)31-15-4-3-5-16-31)18-26(24)32(27)23-7-6-8-23;1-19(2)31-26-17-23(34-16-15-33-3)13-14-24(26)25(18-29)27(31)20-9-11-21(12-10-20)30-28(32)35-22-7-5-4-6-8-22;1-18(2)31-25-16-22(34-15-14-33-7)12-13-23(25)24(17-29)26(31)20-8-10-21(11-9-20)30-27(32)35-19(3)28(4,5)6;1-4-33-31-25(30-32-33)16-36-21-12-13-22-23(15-28)26(34(24(22)14-21)20-6-5-7-20)18-8-10-19(11-9-18)29-27(35)37-17(2)3;1-2-16-36(33,34)29-21-9-6-19(7-10-21)26-24(18-28)23-11-8-20(27(32)30-12-14-35-15-13-30)17-25(23)31(26)22-4-3-5-22;1-4-16-36(33,34)29-21-11-8-19(9-12-21)26-24(18-28)23-13-10-20(27(32)30(2)14-15-35-3)17-25(23)31(26)22-6-5-7-22;1-2-16-35(33,34)29-21-11-8-19(9-12-21)26-24(18-28)23-13-10-20(27(32)30-14-3-4-15-30)17-25(23)31(26)22-6-5-7-22;1-2-32-21-11-14-23-24(18-27)26(29(25(23)17-21)20-7-6-8-20)19-9-12-22(13-10-19)33(30,31)28-15-4-3-5-16-28;1-2-30-22(27-28-29-30)14-34-18-10-11-19-20(13-25)23(31(21(19)12-18)17-4-3-5-17)15-6-8-16(9-7-15)26-24(32)33/h5-10,15,17,20-21H,2-4,11-14H2,1H3,(H,33,35);9-14,18,23,30H,2-8,15-17H2,1H3;4-14,17,19H,15-16H2,1-3H3,(H,30,32);8-13,16,18-19H,14-15H2,1-7H3,(H,30,32);8-14,17,20H,4-7,16H2,1-3H3,(H,29,35);6-11,17,22,29H,2-5,12-16H2,1H3;8-13,17,22,29H,4-7,14-16H2,1-3H3;8-13,17,22,29H,2-7,14-16H2,1H3;9-14,17,20H,2-8,15-16H2,1H3;6-12,17,26H,2-5,14H2,1H3,(H,32,33)
InChIKeyHCYKCODYOAXKQA-UHFFFAOYSA-N
MW4905.92 g/mol
LogP55.91
Rot. Bonds74

About [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

[4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 158442165) has the molecular formula C270H295F3N42O35S5 and a molecular weight of 4905.92 g/mol. Its IUPAC name is [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name[4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID158442165
Molecular FormulaC270H295F3N42O35S5
Molecular Weight4905.92 g/mol
Exact Mass4902.12
IUPAC Name[4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C(F)(F)F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N(C)CCOC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CCn1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.CCn1nnnc1COc1ccc2c(C#N)c(-c3ccc(NC(=O)O)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(C)(C)C)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)Oc4ccccc4)cc3)n(C(C)C)c2c1
InChIInChI=1S/C28H28F3N3O4.C28H32N4O3S.C28H27N3O4.C28H35N3O4.C27H29N7O3.C27H30N4O4S.C27H32N4O4S.C27H30N4O3S.C26H29N3O3S.C24H23N7O3/c1-17(28(29,30)31)37-27(35)33-19-7-5-18(6-8-19)26-24(16-32)23-10-9-22(38-21-11-13-36-14-12-21)15-25(23)34(26)20-3-2-4-20;1-2-17-36(34,35)30-22-12-9-20(10-13-22)27-25(19-29)24-14-11-21(28(33)31-15-4-3-5-16-31)18-26(24)32(27)23-7-6-8-23;1-19(2)31-26-17-23(34-16-15-33-3)13-14-24(26)25(18-29)27(31)20-9-11-21(12-10-20)30-28(32)35-22-7-5-4-6-8-22;1-18(2)31-25-16-22(34-15-14-33-7)12-13-23(25)24(17-29)26(31)20-8-10-21(11-9-20)30-27(32)35-19(3)28(4,5)6;1-4-33-31-25(30-32-33)16-36-21-12-13-22-23(15-28)26(34(24(22)14-21)20-6-5-7-20)18-8-10-19(11-9-18)29-27(35)37-17(2)3;1-2-16-36(33,34)29-21-9-6-19(7-10-21)26-24(18-28)23-11-8-20(27(32)30-12-14-35-15-13-30)17-25(23)31(26)22-4-3-5-22;1-4-16-36(33,34)29-21-11-8-19(9-12-21)26-24(18-28)23-13-10-20(27(32)30(2)14-15-35-3)17-25(23)31(26)22-6-5-7-22;1-2-16-35(33,34)29-21-11-8-19(9-12-21)26-24(18-28)23-13-10-20(27(32)30-14-3-4-15-30)17-25(23)31(26)22-6-5-7-22;1-2-32-21-11-14-23-24(18-27)26(29(25(23)17-21)20-7-6-8-20)19-9-12-22(13-10-19)33(30,31)28-15-4-3-5-16-28;1-2-30-22(27-28-29-30)14-34-18-10-11-19-20(13-25)23(31(21(19)12-18)17-4-3-5-17)15-6-8-16(9-7-15)26-24(32)33/h5-10,15,17,20-21H,2-4,11-14H2,1H3,(H,33,35);9-14,18,23,30H,2-8,15-17H2,1H3;4-14,17,19H,15-16H2,1-3H3,(H,30,32);8-13,16,18-19H,14-15H2,1-7H3,(H,30,32);8-14,17,20H,4-7,16H2,1-3H3,(H,29,35);6-11,17,22,29H,2-5,12-16H2,1H3;8-13,17,22,29H,4-7,14-16H2,1-3H3;8-13,17,22,29H,2-7,14-16H2,1H3;9-14,17,20H,2-8,15-16H2,1H3;6-12,17,26H,2-5,14H2,1H3,(H,32,33)
InChIKeyHCYKCODYOAXKQA-UHFFFAOYSA-N
XLogP55.91
TPSA981.88 Ų
H-Bond Donors10
H-Bond Acceptors62
Rotatable Bonds74
Heavy Atoms355
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004905.92
LogP ≤ 555.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1062

Analyze [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 158442165) is [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C(F)(F)F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N(C)CCOC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCCC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CCn1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.CCn1nnnc1COc1ccc2c(C#N)c(-c3ccc(NC(=O)O)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C(C)(C)C)cc3)n(C(C)C)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)Oc4ccccc4)cc3)n(C(C)C)c2c1.
What is the InChIKey of [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is HCYKCODYOAXKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O4.C28H32N4O3S.C28H27N3O4.C28H35N3O4.C27H29N7O3.C27H30N4O4S.C27H32N4O4S.C27H30N4O3S.C26H29N3O3S.C24H23N7O3/c1-17(28(29,30)31)37-27(35)33-19-7-5-18(6-8-19)26-24(16-32)23-10-9-22(38-21-11-13-36-14-12-21)15-25(23)34(26)20-3-2-4-20;1-2-17-36(34,35)30-22-12-9-20(10-13-22)27-25(19-29)24-14-11-21(28(33)31-15-4-3-5-16-31)18-26(24)32(27)23-7-6-8-23;1-19(2)31-26-17-23(34-16-15-33-3)13-14-24(26)25(18-29)27(31)20-9-11-21(12-10-20)30-28(32)35-22-7-5-4-6-8-22;1-18(2)31-25-16-22(34-15-14-33-7)12-13-23(25)24(17-29)26(31)20-8-10-21(11-9-20)30-27(32)35-19(3)28(4,5)6;1-4-33-31-25(30-32-33)16-36-21-12-13-22-23(15-28)26(34(24(22)14-21)20-6-5-7-20)18-8-10-19(11-9-18)29-27(35)37-17(2)3;1-2-16-36(33,34)29-21-9-6-19(7-10-21)26-24(18-28)23-11-8-20(27(32)30-12-14-35-15-13-30)17-25(23)31(26)22-4-3-5-22;1-4-16-36(33,34)29-21-11-8-19(9-12-21)26-24(18-28)23-13-10-20(27(32)30(2)14-15-35-3)17-25(23)31(26)22-6-5-7-22;1-2-16-35(33,34)29-21-11-8-19(9-12-21)26-24(18-28)23-13-10-20(27(32)30-14-3-4-15-30)17-25(23)31(26)22-6-5-7-22;1-2-32-21-11-14-23-24(18-27)26(29(25(23)17-21)20-7-6-8-20)19-9-12-22(13-10-19)33(30,31)28-15-4-3-5-16-28;1-2-30-22(27-28-29-30)14-34-18-10-11-19-20(13-25)23(31(21(19)12-18)17-4-3-5-17)15-6-8-16(9-7-15)26-24(32)33/h5-10,15,17,20-21H,2-4,11-14H2,1H3,(H,33,35);9-14,18,23,30H,2-8,15-17H2,1H3;4-14,17,19H,15-16H2,1-3H3,(H,30,32);8-13,16,18-19H,14-15H2,1-7H3,(H,30,32);8-14,17,20H,4-7,16H2,1-3H3,(H,29,35);6-11,17,22,29H,2-5,12-16H2,1H3;8-13,17,22,29H,4-7,14-16H2,1-3H3;8-13,17,22,29H,2-7,14-16H2,1H3;9-14,17,20H,2-8,15-16H2,1H3;6-12,17,26H,2-5,14H2,1H3,(H,32,33).
What are the key properties of [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
[4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4905.92 g/mol, XLogP of 55.91, 74 rotatable bonds, 10 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-cyano-1-cyclobutyl-6-[(1-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamic acid;3-cyano-1-cyclobutyl-N-(2-methoxyethyl)-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(piperidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;phenyl N-[4-[3-cyano-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-ethyltetrazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158442165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).