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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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

C248H263F3N30O33S3 — CID 158780872

IUPAC2-[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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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
SMILESCC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)c1ccc(C(F)(F)F)cc1.CCN(CC)C(=O)c1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2C2CCC2)cc1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C33H30F3N3O5.C28H28N6O3.2C27H29N3O4S.C27H31N3O4S.C27H29N3O4.C27H31N3O3.C26H27N3O3.C26H29N3O3/c1-20(21-5-9-23(10-6-21)33(34,35)36)44-32(40)38-24-11-7-22(8-12-24)31-29(16-37)28-15-26(42-18-27-17-41-19-43-27)13-14-30(28)39(31)25-3-2-4-25;1-17(2)31-27(35)32-19-9-7-18(8-10-19)26-23(16-29)22-12-11-21(15-24(22)34(26)20-5-4-6-20)37-28-30-14-13-25(33-28)36-3;28-18-25-24-10-9-23(34-22-11-14-33-15-12-22)17-26(24)30(21-3-1-4-21)27(25)19-5-7-20(8-6-19)29-13-2-16-35(29,31)32;28-17-25-24-11-8-22(34-21-12-14-33-15-13-21)16-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;1-18(2)35(31,32)29-20-8-6-19(7-9-20)27-25(17-28)24-11-10-23(34-22-12-14-33-15-13-22)16-26(24)30(27)21-4-3-5-21;1-32-15-16-34-22-9-10-23-24(18-28)26(30(25(23)17-22)21-3-2-4-21)19-5-7-20(8-6-19)27(31)29-11-13-33-14-12-29;1-4-29(5-2)27(31)20-11-9-19(10-12-20)26-24(18-28)23-14-13-22(33-16-15-32-3)17-25(23)30(26)21-7-6-8-21;1-31-14-15-32-21-10-11-22-23(17-27)25(29(24(22)16-21)20-4-2-5-20)18-6-8-19(9-7-18)26(30)28-12-3-13-28;1-17(2)28-26(30)19-9-7-18(8-10-19)25-23(16-27)22-12-11-21(32-14-13-31-3)15-24(22)29(25)20-5-4-6-20/h5-15,20,25,27H,2-4,17-19H2,1H3,(H,38,40);7-15,17,20H,4-6H2,1-3H3,(H2,31,32,35);5-10,17,21-22H,1-4,11-16H2;4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;6-11,16,18,21-22,29H,3-5,12-15H2,1-2H3;5-10,17,21H,2-4,11-16H2,1H3;9-14,17,21H,4-8,15-16H2,1-3H3;6-11,16,20H,2-5,12-15H2,1H3;7-12,15,17,20H,4-6,13-14H2,1-3H3,(H,28,30)
InChIKeyIRBIQDGADWXOQB-UHFFFAOYSA-N
MW4345.20 g/mol
LogP49.65
Rot. Bonds65

About 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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

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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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 (PubChem CID 158780872) has the molecular formula C248H263F3N30O33S3 and a molecular weight of 4345.20 g/mol. Its IUPAC name is 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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.

Molecular Properties

Compound Name2-[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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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
PubChem CID158780872
Molecular FormulaC248H263F3N30O33S3
Molecular Weight4345.20 g/mol
Exact Mass4341.89
IUPAC Name2-[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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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
SMILESCC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)c1ccc(C(F)(F)F)cc1.CCN(CC)C(=O)c1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2C2CCC2)cc1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C33H30F3N3O5.C28H28N6O3.2C27H29N3O4S.C27H31N3O4S.C27H29N3O4.C27H31N3O3.C26H27N3O3.C26H29N3O3/c1-20(21-5-9-23(10-6-21)33(34,35)36)44-32(40)38-24-11-7-22(8-12-24)31-29(16-37)28-15-26(42-18-27-17-41-19-43-27)13-14-30(28)39(31)25-3-2-4-25;1-17(2)31-27(35)32-19-9-7-18(8-10-19)26-23(16-29)22-12-11-21(15-24(22)34(26)20-5-4-6-20)37-28-30-14-13-25(33-28)36-3;28-18-25-24-10-9-23(34-22-11-14-33-15-12-22)17-26(24)30(21-3-1-4-21)27(25)19-5-7-20(8-6-19)29-13-2-16-35(29,31)32;28-17-25-24-11-8-22(34-21-12-14-33-15-13-21)16-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;1-18(2)35(31,32)29-20-8-6-19(7-9-20)27-25(17-28)24-11-10-23(34-22-12-14-33-15-13-22)16-26(24)30(27)21-4-3-5-21;1-32-15-16-34-22-9-10-23-24(18-28)26(30(25(23)17-22)21-3-2-4-21)19-5-7-20(8-6-19)27(31)29-11-13-33-14-12-29;1-4-29(5-2)27(31)20-11-9-19(10-12-20)26-24(18-28)23-14-13-22(33-16-15-32-3)17-25(23)30(26)21-7-6-8-21;1-31-14-15-32-21-10-11-22-23(17-27)25(29(24(22)16-21)20-4-2-5-20)18-6-8-19(9-7-18)26(30)28-12-3-13-28;1-17(2)28-26(30)19-9-7-18(8-10-19)25-23(16-27)22-12-11-21(32-14-13-31-3)15-24(22)29(25)20-5-4-6-20/h5-15,20,25,27H,2-4,17-19H2,1H3,(H,38,40);7-15,17,20H,4-6H2,1-3H3,(H2,31,32,35);5-10,17,21-22H,1-4,11-16H2;4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;6-11,16,18,21-22,29H,3-5,12-15H2,1-2H3;5-10,17,21H,2-4,11-16H2,1H3;9-14,17,21H,4-8,15-16H2,1-3H3;6-11,16,20H,2-5,12-15H2,1H3;7-12,15,17,20H,4-6,13-14H2,1-3H3,(H,28,30)
InChIKeyIRBIQDGADWXOQB-UHFFFAOYSA-N
XLogP49.65
TPSA768.07 Ų
H-Bond Donors6
H-Bond Acceptors53
Rotatable Bonds65
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004345.20
LogP ≤ 549.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1053

Analyze 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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 with MolForge

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Related Compounds

1-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[2-(propan-2-ylamino)pyrimidin-5-yl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;2-[4-[1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]-1,2-thiazolidine 1,1-dioxide;propan-2-yl N-[2-cyano-4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[5-[1-(azetidin-1-yl)-3-cyano-6-pyrimidin-2-yloxy-1H-inden-2-yl]-2-pyridinyl]carbamate
CID 157159756
N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2,6-difluorophenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclopropyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2,6-difluorophenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
CID 157180987
CID 157301426
CID 157301426
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate
CID 157344993
CID 157628918
CID 157628918
N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-methylbutanamide;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-pyridin-2-ylindole-3-carbonitrile;1-cyclobutyl-2-[4-(3-methylbutylamino)phenyl]-6-pyridin-2-ylindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate
CID 157767149
CID 157834402
CID 157834402
CID 157856568
CID 157856568
CID 157892881
CID 157892881
N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate
CID 158050207
1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;1-cyclopropyl-6-(oxan-4-yloxy)-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(1-ethylimidazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
CID 158131561
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-methylpyrazin-2-yl)oxy-1-propan-2-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
CID 158155960

Frequently Asked Questions

What is the IUPAC name of 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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?
The IUPAC name of 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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 158780872) is 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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.
What is the SMILES notation for 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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?
The canonical SMILES for 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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 is CC(C)S(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)c1ccc(C(F)(F)F)cc1.CCN(CC)C(=O)c1ccc(-c2c(C#N)c3ccc(OCCOC)cc3n2C2CCC2)cc1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)NC(C)C)cc4)n(C4CCC4)c3c2)n1.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.
What is the InChIKey of 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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?
The InChIKey is IRBIQDGADWXOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N3O5.C28H28N6O3.2C27H29N3O4S.C27H31N3O4S.C27H29N3O4.C27H31N3O3.C26H27N3O3.C26H29N3O3/c1-20(21-5-9-23(10-6-21)33(34,35)36)44-32(40)38-24-11-7-22(8-12-24)31-29(16-37)28-15-26(42-18-27-17-41-19-43-27)13-14-30(28)39(31)25-3-2-4-25;1-17(2)31-27(35)32-19-9-7-18(8-10-19)26-23(16-29)22-12-11-21(15-24(22)34(26)20-5-4-6-20)37-28-30-14-13-25(33-28)36-3;28-18-25-24-10-9-23(34-22-11-14-33-15-12-22)17-26(24)30(21-3-1-4-21)27(25)19-5-7-20(8-6-19)29-13-2-16-35(29,31)32;28-17-25-24-11-8-22(34-21-12-14-33-15-13-21)16-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;1-18(2)35(31,32)29-20-8-6-19(7-9-20)27-25(17-28)24-11-10-23(34-22-12-14-33-15-13-22)16-26(24)30(27)21-4-3-5-21;1-32-15-16-34-22-9-10-23-24(18-28)26(30(25(23)17-22)21-3-2-4-21)19-5-7-20(8-6-19)27(31)29-11-13-33-14-12-29;1-4-29(5-2)27(31)20-11-9-19(10-12-20)26-24(18-28)23-14-13-22(33-16-15-32-3)17-25(23)30(26)21-7-6-8-21;1-31-14-15-32-21-10-11-22-23(17-27)25(29(24(22)16-21)20-4-2-5-20)18-6-8-19(9-7-18)26(30)28-12-3-13-28;1-17(2)28-26(30)19-9-7-18(8-10-19)25-23(16-27)22-12-11-21(32-14-13-31-3)15-24(22)29(25)20-5-4-6-20/h5-15,20,25,27H,2-4,17-19H2,1H3,(H,38,40);7-15,17,20H,4-6H2,1-3H3,(H2,31,32,35);5-10,17,21-22H,1-4,11-16H2;4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;6-11,16,18,21-22,29H,3-5,12-15H2,1-2H3;5-10,17,21H,2-4,11-16H2,1H3;9-14,17,21H,4-8,15-16H2,1-3H3;6-11,16,20H,2-5,12-15H2,1H3;7-12,15,17,20H,4-6,13-14H2,1-3H3,(H,28,30).
What are the key properties of 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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?
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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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 has a molecular weight of 4345.20 g/mol, XLogP of 49.65, 65 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 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,N-diethylbenzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-propan-2-ylbenzamide;1-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(2-methoxyethoxy)-2-[4-(morpholine-4-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 is sourced from PubChem (CID 158780872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).