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

C249H266F3N27O30 — CID 161406217

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-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
SMILESCC(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)N4CCCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCCC4)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.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC4CCCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C33H30F3N3O5.2C28H31N3O3.C27H29N3O4.2C27H29N3O3.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;1-33-15-16-34-23-13-14-24-25(18-29)27(31(26(24)17-23)22-7-4-8-22)19-9-11-20(12-10-19)28(32)30-21-5-2-3-6-21;1-33-16-17-34-23-12-13-24-25(19-29)27(31(26(24)18-23)22-6-5-7-22)20-8-10-21(11-9-20)28(32)30-14-3-2-4-15-30;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;1-32-14-15-33-22-12-13-23-24(17-28)26(30(25(23)16-22)21-6-3-7-21)18-8-10-19(11-9-18)27(31)29-20-4-2-5-20;1-32-15-16-33-22-11-12-23-24(18-28)26(30(25(23)17-22)21-5-4-6-21)19-7-9-20(10-8-19)27(31)29-13-2-3-14-29;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);9-14,17,21-22H,2-8,15-16H2,1H3,(H,30,32);8-13,18,22H,2-7,14-17H2,1H3;5-10,17,21H,2-4,11-16H2,1H3;8-13,16,20-21H,2-7,14-15H2,1H3,(H,29,31);7-12,17,21H,2-6,13-16H2,1H3;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)
InChIKeyVUWKBKWXPRKMHW-UHFFFAOYSA-N
MW4174.02 g/mol
LogP49.18
Rot. Bonds69

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-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

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 (PubChem CID 161406217) has the molecular formula C249H266F3N27O30 and a molecular weight of 4174.02 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-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.

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-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
PubChem CID161406217
Molecular FormulaC249H266F3N27O30
Molecular Weight4174.02 g/mol
Exact Mass4171.01
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-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
SMILESCC(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)N4CCCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCCC4)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.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC4CCCC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C33H30F3N3O5.2C28H31N3O3.C27H29N3O4.2C27H29N3O3.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;1-33-15-16-34-23-13-14-24-25(18-29)27(31(26(24)17-23)22-7-4-8-22)19-9-11-20(12-10-19)28(32)30-21-5-2-3-6-21;1-33-16-17-34-23-12-13-24-25(19-29)27(31(26(24)18-23)22-6-5-7-22)20-8-10-21(11-9-20)28(32)30-14-3-2-4-15-30;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;1-32-14-15-33-22-12-13-23-24(17-28)26(30(25(23)16-22)21-6-3-7-21)18-8-10-19(11-9-18)27(31)29-20-4-2-5-20;1-32-15-16-33-22-11-12-23-24(18-28)26(30(25(23)17-22)21-5-4-6-21)19-7-9-20(10-8-19)27(31)29-13-2-3-14-29;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);9-14,17,21-22H,2-8,15-16H2,1H3,(H,30,32);8-13,18,22H,2-7,14-17H2,1H3;5-10,17,21H,2-4,11-16H2,1H3;8-13,16,20-21H,2-7,14-15H2,1H3,(H,29,31);7-12,17,21H,2-6,13-16H2,1H3;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)
InChIKeyVUWKBKWXPRKMHW-UHFFFAOYSA-N
XLogP49.18
TPSA670.26 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds69
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004174.02
LogP ≤ 549.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

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-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 with MolForge

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Related Compounds

CID 157308718
CID 157308718
CID 157655703
CID 157655703
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
4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide;4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]-N-[(1S)-1-phenylethyl]benzamide;1-cyclobutyl-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-6-(2-methoxyethoxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(4-methoxyanilino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[3-(trifluoromethoxy)anilino]phenyl]indole-3-carbonitrile
CID 158112816
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 158445629
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
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
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 161351918
CID 161649563
CID 161649563
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
butan-2-yl 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;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 162059695
cyclobutyl 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;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 162133697

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-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?
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-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) 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-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.
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-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?
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-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 is 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)N4CCCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCCC4)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.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC4CCCC4)cc3)n(C3CCC3)c2c1.
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-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?
The InChIKey is VUWKBKWXPRKMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F3N3O5.2C28H31N3O3.C27H29N3O4.2C27H29N3O3.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;1-33-15-16-34-23-13-14-24-25(18-29)27(31(26(24)17-23)22-7-4-8-22)19-9-11-20(12-10-19)28(32)30-21-5-2-3-6-21;1-33-16-17-34-23-12-13-24-25(19-29)27(31(26(24)18-23)22-6-5-7-22)20-8-10-21(11-9-20)28(32)30-14-3-2-4-15-30;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;1-32-14-15-33-22-12-13-23-24(17-28)26(30(25(23)16-22)21-6-3-7-21)18-8-10-19(11-9-18)27(31)29-20-4-2-5-20;1-32-15-16-33-22-11-12-23-24(18-28)26(30(25(23)17-22)21-5-4-6-21)19-7-9-20(10-8-19)27(31)29-13-2-3-14-29;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);9-14,17,21-22H,2-8,15-16H2,1H3,(H,30,32);8-13,18,22H,2-7,14-17H2,1H3;5-10,17,21H,2-4,11-16H2,1H3;8-13,16,20-21H,2-7,14-15H2,1H3,(H,29,31);7-12,17,21H,2-6,13-16H2,1H3;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-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?
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 has a molecular weight of 4174.02 g/mol, XLogP of 49.18, 69 rotatable bonds, 4 hydrogen bond donors, and 48 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-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 is sourced from PubChem (CID 161406217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).