1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate

C276H302F3N41O32 — CID 158029158

IUPAC1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1.CC(C)[C@H](C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C(C)(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12
InChIInChI=1S/C30H35N3O5.C29H33N3O5.C28H31N5O2.C28H30N4O3.C28H29N3O5.C27H27F3N4O3.C27H29N5O2.C27H31N5O2.C26H29N5O2.C26H28N4O3/c1-19(30(2,3)4)37-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-13-12-23(38-24-16-35-18-36-17-24)14-27(25)33(28)22-6-5-7-22;1-18(2)19(3)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-12-11-23(37-24-15-34-17-35-16-24)13-27(25)32(28)22-5-4-6-22;29-18-25-24-12-11-23(32-13-15-35-16-14-32)17-26(24)33(22-5-2-6-22)27(25)19-7-9-21(10-8-19)31-28(34)30-20-3-1-4-20;1-18(19-2-3-19)35-28(33)30-21-6-4-20(5-7-21)27-25(17-29)24-11-10-23(31-12-14-34-15-13-31)16-26(24)32(27)22-8-9-22;29-13-25-24-11-10-22(36-23-15-33-17-34-16-23)12-26(24)31(21-2-1-3-21)27(25)19-6-8-20(9-7-19)30-28(32)35-14-18-4-5-18;1-17(27(28,29)30)37-26(35)32-19-7-5-18(6-8-19)25-23(16-31)22-10-9-21(33-11-13-36-14-12-33)15-24(22)34(25)20-3-2-4-20;28-17-24-23-11-10-22(31-12-14-34-15-13-31)16-25(23)32(21-8-9-21)26(24)18-4-6-20(7-5-18)30-27(33)29-19-2-1-3-19;1-18(2)29-27(33)30-20-8-6-19(7-9-20)26-24(17-28)23-11-10-22(31-12-14-34-15-13-31)16-25(23)32(26)21-4-3-5-21;1-17(2)28-26(32)29-19-5-3-18(4-6-19)25-23(16-27)22-10-9-21(30-11-13-33-14-12-30)15-24(22)31(25)20-7-8-20;1-17(2)33-26(31)28-19-5-3-18(4-6-19)25-23(16-27)22-10-9-21(29-11-13-32-14-12-29)15-24(22)30(25)20-7-8-20/h8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-13,18-19,22,24H,4-6,15-17H2,1-3H3,(H,31,33);7-12,17,20,22H,1-6,13-16H2,(H2,30,31,34);4-7,10-11,16,18-19,22H,2-3,8-9,12-15H2,1H3,(H,30,33);6-12,18,21,23H,1-5,14-17H2,(H,30,32);5-10,15,17,20H,2-4,11-14H2,1H3,(H,32,35);4-7,10-11,16,19,21H,1-3,8-9,12-15H2,(H2,29,30,33);6-11,16,18,21H,3-5,12-15H2,1-2H3,(H2,29,30,33);3-6,9-10,15,17,20H,7-8,11-14H2,1-2H3,(H2,28,29,32);3-6,9-10,15,17,20H,7-8,11-14H2,1-2H3,(H,28,31)/t;19-;;18-;;17-;;;;/m.0.1.1..../s1
InChIKeyFGYXXOZZPCCRKC-SLIXJSFQSA-N
MW4762.70 g/mol
LogP56.35
Rot. Bonds56

About 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate

1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate (PubChem CID 158029158) has the molecular formula C276H302F3N41O32 and a molecular weight of 4762.70 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
PubChem CID158029158
Molecular FormulaC276H302F3N41O32
Molecular Weight4762.70 g/mol
Exact Mass4759.32
IUPAC Name1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1.CC(C)[C@H](C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C(C)(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12
InChIInChI=1S/C30H35N3O5.C29H33N3O5.C28H31N5O2.C28H30N4O3.C28H29N3O5.C27H27F3N4O3.C27H29N5O2.C27H31N5O2.C26H29N5O2.C26H28N4O3/c1-19(30(2,3)4)37-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-13-12-23(38-24-16-35-18-36-17-24)14-27(25)33(28)22-6-5-7-22;1-18(2)19(3)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-12-11-23(37-24-15-34-17-35-16-24)13-27(25)32(28)22-5-4-6-22;29-18-25-24-12-11-23(32-13-15-35-16-14-32)17-26(24)33(22-5-2-6-22)27(25)19-7-9-21(10-8-19)31-28(34)30-20-3-1-4-20;1-18(19-2-3-19)35-28(33)30-21-6-4-20(5-7-21)27-25(17-29)24-11-10-23(31-12-14-34-15-13-31)16-26(24)32(27)22-8-9-22;29-13-25-24-11-10-22(36-23-15-33-17-34-16-23)12-26(24)31(21-2-1-3-21)27(25)19-6-8-20(9-7-19)30-28(32)35-14-18-4-5-18;1-17(27(28,29)30)37-26(35)32-19-7-5-18(6-8-19)25-23(16-31)22-10-9-21(33-11-13-36-14-12-33)15-24(22)34(25)20-3-2-4-20;28-17-24-23-11-10-22(31-12-14-34-15-13-31)16-25(23)32(21-8-9-21)26(24)18-4-6-20(7-5-18)30-27(33)29-19-2-1-3-19;1-18(2)29-27(33)30-20-8-6-19(7-9-20)26-24(17-28)23-11-10-22(31-12-14-34-15-13-31)16-25(23)32(26)21-4-3-5-21;1-17(2)28-26(32)29-19-5-3-18(4-6-19)25-23(16-27)22-10-9-21(30-11-13-33-14-12-30)15-24(22)31(25)20-7-8-20;1-17(2)33-26(31)28-19-5-3-18(4-6-19)25-23(16-27)22-10-9-21(29-11-13-32-14-12-29)15-24(22)30(25)20-7-8-20/h8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-13,18-19,22,24H,4-6,15-17H2,1-3H3,(H,31,33);7-12,17,20,22H,1-6,13-16H2,(H2,30,31,34);4-7,10-11,16,18-19,22H,2-3,8-9,12-15H2,1H3,(H,30,33);6-12,18,21,23H,1-5,14-17H2,(H,30,32);5-10,15,17,20H,2-4,11-14H2,1H3,(H,32,35);4-7,10-11,16,19,21H,1-3,8-9,12-15H2,(H2,29,30,33);6-11,16,18,21H,3-5,12-15H2,1-2H3,(H2,29,30,33);3-6,9-10,15,17,20H,7-8,11-14H2,1-2H3,(H2,28,29,32);3-6,9-10,15,17,20H,7-8,11-14H2,1-2H3,(H,28,31)/t;19-;;18-;;17-;;;;/m.0.1.1..../s1
InChIKeyFGYXXOZZPCCRKC-SLIXJSFQSA-N
XLogP56.35
TPSA852.06 Ų
H-Bond Donors14
H-Bond Acceptors59
Rotatable Bonds56
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004762.70
LogP ≤ 556.35
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1059

Analyze 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?
The IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate (CID 158029158) is 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1.CC(C)[C@H](C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C(C)(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2C2CCC2)cc1)C(F)(F)F.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(N3CCOCC3)ccc12.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2cc(OC3COCOC3)ccc12.
What is the InChIKey of 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?
The InChIKey is FGYXXOZZPCCRKC-SLIXJSFQSA-N. The full InChI is InChI=1S/C30H35N3O5.C29H33N3O5.C28H31N5O2.C28H30N4O3.C28H29N3O5.C27H27F3N4O3.C27H29N5O2.C27H31N5O2.C26H29N5O2.C26H28N4O3/c1-19(30(2,3)4)37-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-13-12-23(38-24-16-35-18-36-17-24)14-27(25)33(28)22-6-5-7-22;1-18(2)19(3)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-12-11-23(37-24-15-34-17-35-16-24)13-27(25)32(28)22-5-4-6-22;29-18-25-24-12-11-23(32-13-15-35-16-14-32)17-26(24)33(22-5-2-6-22)27(25)19-7-9-21(10-8-19)31-28(34)30-20-3-1-4-20;1-18(19-2-3-19)35-28(33)30-21-6-4-20(5-7-21)27-25(17-29)24-11-10-23(31-12-14-34-15-13-31)16-26(24)32(27)22-8-9-22;29-13-25-24-11-10-22(36-23-15-33-17-34-16-23)12-26(24)31(21-2-1-3-21)27(25)19-6-8-20(9-7-19)30-28(32)35-14-18-4-5-18;1-17(27(28,29)30)37-26(35)32-19-7-5-18(6-8-19)25-23(16-31)22-10-9-21(33-11-13-36-14-12-33)15-24(22)34(25)20-3-2-4-20;28-17-24-23-11-10-22(31-12-14-34-15-13-31)16-25(23)32(21-8-9-21)26(24)18-4-6-20(7-5-18)30-27(33)29-19-2-1-3-19;1-18(2)29-27(33)30-20-8-6-19(7-9-20)26-24(17-28)23-11-10-22(31-12-14-34-15-13-31)16-25(23)32(26)21-4-3-5-21;1-17(2)28-26(32)29-19-5-3-18(4-6-19)25-23(16-27)22-10-9-21(30-11-13-33-14-12-30)15-24(22)31(25)20-7-8-20;1-17(2)33-26(31)28-19-5-3-18(4-6-19)25-23(16-27)22-10-9-21(29-11-13-32-14-12-29)15-24(22)30(25)20-7-8-20/h8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-13,18-19,22,24H,4-6,15-17H2,1-3H3,(H,31,33);7-12,17,20,22H,1-6,13-16H2,(H2,30,31,34);4-7,10-11,16,18-19,22H,2-3,8-9,12-15H2,1H3,(H,30,33);6-12,18,21,23H,1-5,14-17H2,(H,30,32);5-10,15,17,20H,2-4,11-14H2,1H3,(H,32,35);4-7,10-11,16,19,21H,1-3,8-9,12-15H2,(H2,29,30,33);6-11,16,18,21H,3-5,12-15H2,1-2H3,(H2,29,30,33);3-6,9-10,15,17,20H,7-8,11-14H2,1-2H3,(H2,28,29,32);3-6,9-10,15,17,20H,7-8,11-14H2,1-2H3,(H,28,31)/t;19-;;18-;;17-;;;;/m.0.1.1..../s1.
What are the key properties of 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate?
1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate has a molecular weight of 4762.70 g/mol, XLogP of 56.35, 56 rotatable bonds, 14 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-cyclobutylurea;1-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2S)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-morpholin-4-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158029158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).