1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate

C227H231ClF10N26O32S — CID 158107431

IUPAC1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(CC3CC3)c2c1.COCCN(C)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NC(=O)OC(C(F)(F)F)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)OC(c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12
InChIInChI=1S/C32H28F3N3O5.C32H30FN3O5.C28H30N4O4.C28H32N4O4.C28H30N4O3.C27H23F6N3O5.C26H29ClN2O3.C26H29N3O3S/c33-32(34,35)30(21-5-2-1-3-6-21)43-31(39)37-22-11-9-20(10-12-22)29-26(18-36)25-14-13-24(42-19-28-40-15-16-41-28)17-27(25)38(29)23-7-4-8-23;1-20(21-5-9-23(33)10-6-21)41-32(37)35-24-11-7-22(8-12-24)31-28(18-34)27-14-13-26(40-19-30-38-15-16-39-30)17-29(27)36(31)25-3-2-4-25;1-18(2)36-28(34)30-21-9-6-19(7-10-21)26-24(17-29)23-11-8-20(27(33)31-12-14-35-15-13-31)16-25(23)32(26)22-4-3-5-22;1-18(2)36-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(33)31(3)14-15-35-4)16-25(23)32(26)22-6-5-7-22;1-18(2)35-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(33)31-14-3-4-15-31)16-25(23)32(26)22-6-5-7-22;28-26(29,30)24(27(31,32)33)41-25(37)35-16-6-4-15(5-7-16)23-20(13-34)19-9-8-18(40-14-22-38-10-11-39-22)12-21(19)36(23)17-2-1-3-17;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;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/h1-3,5-6,9-14,17,23,28,30H,4,7-8,15-16,19H2,(H,37,39);5-14,17,20,25,30H,2-4,15-16,19H2,1H3,(H,35,37);6-11,16,18,22H,3-5,12-15H2,1-2H3,(H,30,34);8-13,16,18,22H,5-7,14-15H2,1-4H3,(H,30,34);8-13,16,18,22H,3-7,14-15H2,1-2H3,(H,30,34);4-9,12,17,22,24H,1-3,10-11,14H2,(H,35,37);8-14,16-18H,3-7,15H2,1-2H3,(H,28,30);9-14,17,20H,2-8,15-16H2,1H3/t;;;;;;16-;/m......1./s1
InChIKeyFPZZCKIGCIKQIT-HKTVQMPJSA-N
MW4092.99 g/mol
LogP50.92
Rot. Bonds55

About 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate

1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158107431) has the molecular formula C227H231ClF10N26O32S and a molecular weight of 4092.99 g/mol. Its IUPAC name is 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
PubChem CID158107431
Molecular FormulaC227H231ClF10N26O32S
Molecular Weight4092.99 g/mol
Exact Mass4089.65
IUPAC Name1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(CC3CC3)c2c1.COCCN(C)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NC(=O)OC(C(F)(F)F)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)OC(c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12
InChIInChI=1S/C32H28F3N3O5.C32H30FN3O5.C28H30N4O4.C28H32N4O4.C28H30N4O3.C27H23F6N3O5.C26H29ClN2O3.C26H29N3O3S/c33-32(34,35)30(21-5-2-1-3-6-21)43-31(39)37-22-11-9-20(10-12-22)29-26(18-36)25-14-13-24(42-19-28-40-15-16-41-28)17-27(25)38(29)23-7-4-8-23;1-20(21-5-9-23(33)10-6-21)41-32(37)35-24-11-7-22(8-12-24)31-28(18-34)27-14-13-26(40-19-30-38-15-16-39-30)17-29(27)36(31)25-3-2-4-25;1-18(2)36-28(34)30-21-9-6-19(7-10-21)26-24(17-29)23-11-8-20(27(33)31-12-14-35-15-13-31)16-25(23)32(26)22-4-3-5-22;1-18(2)36-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(33)31(3)14-15-35-4)16-25(23)32(26)22-6-5-7-22;1-18(2)35-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(33)31-14-3-4-15-31)16-25(23)32(26)22-6-5-7-22;28-26(29,30)24(27(31,32)33)41-25(37)35-16-6-4-15(5-7-16)23-20(13-34)19-9-8-18(40-14-22-38-10-11-39-22)12-21(19)36(23)17-2-1-3-17;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;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/h1-3,5-6,9-14,17,23,28,30H,4,7-8,15-16,19H2,(H,37,39);5-14,17,20,25,30H,2-4,15-16,19H2,1H3,(H,35,37);6-11,16,18,22H,3-5,12-15H2,1-2H3,(H,30,34);8-13,16,18,22H,5-7,14-15H2,1-4H3,(H,30,34);8-13,16,18,22H,3-7,14-15H2,1-2H3,(H,30,34);4-9,12,17,22,24H,1-3,10-11,14H2,(H,35,37);8-14,16-18H,3-7,15H2,1-2H3,(H,28,30);9-14,17,20H,2-8,15-16H2,1H3/t;;;;;;16-;/m......1./s1
InChIKeyFPZZCKIGCIKQIT-HKTVQMPJSA-N
XLogP50.92
TPSA692.58 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds55
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004092.99
LogP ≤ 550.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

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
N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]propane-2-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-chloro-1-(cyclopropylmethyl)-6-methoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1S)-2,2,2-trifluoro-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 158436499
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 159032896
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;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
CID 160752669
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 160899923
CID 161159655
CID 161159655
2-[4-(azetidine-1-carbonyl)phenyl]-1-cyclobutyl-6-(2-methoxyethoxy)indole-3-carbonitrile;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclobutylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-cyclopentylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 161406217
CID 161649563
CID 161649563
CID 161742039
CID 161742039
CID 157129370
CID 157129370
3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate
CID 157182703
CID 157233086
CID 157233086

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 158107431) is 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(=O)N4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4OCCO4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(C#N)c(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(CC3CC3)c2c1.COCCN(C)C(=O)c1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NC(=O)OC(C(F)(F)F)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.N#Cc1c(-c2ccc(NC(=O)OC(c3ccccc3)C(F)(F)F)cc2)n(C2CCC2)c2cc(OCC3OCCO3)ccc12.
What is the InChIKey of 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is FPZZCKIGCIKQIT-HKTVQMPJSA-N. The full InChI is InChI=1S/C32H28F3N3O5.C32H30FN3O5.C28H30N4O4.C28H32N4O4.C28H30N4O3.C27H23F6N3O5.C26H29ClN2O3.C26H29N3O3S/c33-32(34,35)30(21-5-2-1-3-6-21)43-31(39)37-22-11-9-20(10-12-22)29-26(18-36)25-14-13-24(42-19-28-40-15-16-41-28)17-27(25)38(29)23-7-4-8-23;1-20(21-5-9-23(33)10-6-21)41-32(37)35-24-11-7-22(8-12-24)31-28(18-34)27-14-13-26(40-19-30-38-15-16-39-30)17-29(27)36(31)25-3-2-4-25;1-18(2)36-28(34)30-21-9-6-19(7-10-21)26-24(17-29)23-11-8-20(27(33)31-12-14-35-15-13-31)16-25(23)32(26)22-4-3-5-22;1-18(2)36-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(33)31(3)14-15-35-4)16-25(23)32(26)22-6-5-7-22;1-18(2)35-28(34)30-21-11-8-19(9-12-21)26-24(17-29)23-13-10-20(27(33)31-14-3-4-15-31)16-25(23)32(26)22-6-5-7-22;28-26(29,30)24(27(31,32)33)41-25(37)35-16-6-4-15(5-7-16)23-20(13-34)19-9-8-18(40-14-22-38-10-11-39-22)12-21(19)36(23)17-2-1-3-17;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;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/h1-3,5-6,9-14,17,23,28,30H,4,7-8,15-16,19H2,(H,37,39);5-14,17,20,25,30H,2-4,15-16,19H2,1H3,(H,35,37);6-11,16,18,22H,3-5,12-15H2,1-2H3,(H,30,34);8-13,16,18,22H,5-7,14-15H2,1-4H3,(H,30,34);8-13,16,18,22H,3-7,14-15H2,1-2H3,(H,30,34);4-9,12,17,22,24H,1-3,10-11,14H2,(H,35,37);8-14,16-18H,3-7,15H2,1-2H3,(H,28,30);9-14,17,20H,2-8,15-16H2,1H3/t;;;;;;16-;/m......1./s1.
What are the key properties of 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate?
1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4092.99 g/mol, XLogP of 50.92, 55 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158107431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).