1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate

C238H243F3N38O31 — CID 158338953

IUPAC1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C(C)(C)C.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C(F)(F)F.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)n1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccccc1.C[C@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccccc1
InChIInChI=1S/2C33H32N6O3.C30H29N5O4.C30H35N3O5.C29H31N3O5.C28H31N7O2.C28H27N5O4.C27H26F3N3O5/c2*1-23(24-7-3-2-4-8-24)42-33(40)37-26-13-11-25(12-14-26)32-30(20-34)29-19-28(41-18-6-17-38-22-35-21-36-38)15-16-31(29)39(32)27-9-5-10-27;1-18(19-6-7-19)38-30(36)33-21-10-8-20(9-11-21)28-25(17-31)24-13-12-23(16-26(24)35(28)22-4-3-5-22)39-29-32-15-14-27(34-29)37-2;1-19(30(2,3)4)37-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-14-23(38-24-16-35-18-36-17-24)12-13-27(25)33(28)22-6-5-7-22;1-18(19-5-6-19)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-13-23(37-24-15-34-17-35-16-24)11-12-27(25)32(28)22-3-2-4-22;1-19(2)32-28(36)33-21-9-7-20(8-10-21)27-25(16-29)24-15-23(37-14-4-13-34-18-30-17-31-34)11-12-26(24)35(27)22-5-3-6-22;1-17(2)36-28(34)31-19-9-7-18(8-10-19)26-23(16-29)22-12-11-21(15-24(22)33(26)20-5-4-6-20)37-27-30-14-13-25(32-27)35-3;1-16(27(28,29)30)37-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-11-20(38-21-13-35-15-36-14-21)9-10-24(22)33(25)19-3-2-4-19/h2*2-4,7-8,11-16,19,21-23,27H,5-6,9-10,17-18H2,1H3,(H,37,40);8-16,18-19,22H,3-7H2,1-2H3,(H,33,36);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-13,18-19,22,24H,2-6,15-17H2,1H3,(H,31,33);7-12,15,17-19,22H,3-6,13-14H2,1-2H3,(H2,32,33,36);7-15,17,20H,4-6H2,1-3H3,(H,31,34);5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34)/t2*23-;18-;;18-;;;/m101.1.../s1
InChIKeyGQXSQRZLVHVWOC-CKNOWTCVSA-N
MW4188.79 g/mol
LogP52.14
Rot. Bonds63

About 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate

1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 158338953) has the molecular formula C238H243F3N38O31 and a molecular weight of 4188.79 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID158338953
Molecular FormulaC238H243F3N38O31
Molecular Weight4188.79 g/mol
Exact Mass4185.86
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C(C)(C)C.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C(F)(F)F.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)n1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccccc1.C[C@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccccc1
InChIInChI=1S/2C33H32N6O3.C30H29N5O4.C30H35N3O5.C29H31N3O5.C28H31N7O2.C28H27N5O4.C27H26F3N3O5/c2*1-23(24-7-3-2-4-8-24)42-33(40)37-26-13-11-25(12-14-26)32-30(20-34)29-19-28(41-18-6-17-38-22-35-21-36-38)15-16-31(29)39(32)27-9-5-10-27;1-18(19-6-7-19)38-30(36)33-21-10-8-20(9-11-21)28-25(17-31)24-13-12-23(16-26(24)35(28)22-4-3-5-22)39-29-32-15-14-27(34-29)37-2;1-19(30(2,3)4)37-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-14-23(38-24-16-35-18-36-17-24)12-13-27(25)33(28)22-6-5-7-22;1-18(19-5-6-19)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-13-23(37-24-15-34-17-35-16-24)11-12-27(25)32(28)22-3-2-4-22;1-19(2)32-28(36)33-21-9-7-20(8-10-21)27-25(16-29)24-15-23(37-14-4-13-34-18-30-17-31-34)11-12-26(24)35(27)22-5-3-6-22;1-17(2)36-28(34)31-19-9-7-18(8-10-19)26-23(16-29)22-12-11-21(15-24(22)33(26)20-5-4-6-20)37-27-30-14-13-25(32-27)35-3;1-16(27(28,29)30)37-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-11-20(38-21-13-35-15-36-14-21)9-10-24(22)33(25)19-3-2-4-19/h2*2-4,7-8,11-16,19,21-23,27H,5-6,9-10,17-18H2,1H3,(H,37,40);8-16,18-19,22H,3-7H2,1-2H3,(H,33,36);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-13,18-19,22,24H,2-6,15-17H2,1H3,(H,31,33);7-12,15,17-19,22H,3-6,13-14H2,1-2H3,(H2,32,33,36);7-15,17,20H,4-6H2,1-3H3,(H,31,34);5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34)/t2*23-;18-;;18-;;;/m101.1.../s1
InChIKeyGQXSQRZLVHVWOC-CKNOWTCVSA-N
XLogP52.14
TPSA830.57 Ų
H-Bond Donors9
H-Bond Acceptors60
Rotatable Bonds63
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004188.79
LogP ≤ 552.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1060

Analyze 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)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
1-cyclobutyl-2-[4-(ethylsulfamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;1-cyclobutyl-2-[4-(methylsulfamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
CID 157267853
benzyl N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-cyclobutylethyl N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 157586238
CID 157834402
CID 157834402
CID 157974736
CID 157974736
CID 158029158
CID 158029158
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
1-[4-[1-(cyclopropylmethyl)-6-ethoxy-3-fluoroindol-2-yl]phenyl]-3-propan-2-ylurea;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate
CID 158378689
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
N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate
CID 159055569
CID 159076240
CID 159076240

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate (CID 158338953) is 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C(C)(C)C.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C(F)(F)F.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.COc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4)n(C4CCC4)c3c2)n1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccccc1.C[C@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccccc1.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is GQXSQRZLVHVWOC-CKNOWTCVSA-N. The full InChI is InChI=1S/2C33H32N6O3.C30H29N5O4.C30H35N3O5.C29H31N3O5.C28H31N7O2.C28H27N5O4.C27H26F3N3O5/c2*1-23(24-7-3-2-4-8-24)42-33(40)37-26-13-11-25(12-14-26)32-30(20-34)29-19-28(41-18-6-17-38-22-35-21-36-38)15-16-31(29)39(32)27-9-5-10-27;1-18(19-6-7-19)38-30(36)33-21-10-8-20(9-11-21)28-25(17-31)24-13-12-23(16-26(24)35(28)22-4-3-5-22)39-29-32-15-14-27(34-29)37-2;1-19(30(2,3)4)37-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-14-23(38-24-16-35-18-36-17-24)12-13-27(25)33(28)22-6-5-7-22;1-18(19-5-6-19)36-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-13-23(37-24-15-34-17-35-16-24)11-12-27(25)32(28)22-3-2-4-22;1-19(2)32-28(36)33-21-9-7-20(8-10-21)27-25(16-29)24-15-23(37-14-4-13-34-18-30-17-31-34)11-12-26(24)35(27)22-5-3-6-22;1-17(2)36-28(34)31-19-9-7-18(8-10-19)26-23(16-29)22-12-11-21(15-24(22)33(26)20-5-4-6-20)37-27-30-14-13-25(32-27)35-3;1-16(27(28,29)30)37-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-11-20(38-21-13-35-15-36-14-21)9-10-24(22)33(25)19-3-2-4-19/h2*2-4,7-8,11-16,19,21-23,27H,5-6,9-10,17-18H2,1H3,(H,37,40);8-16,18-19,22H,3-7H2,1-2H3,(H,33,36);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-13,18-19,22,24H,2-6,15-17H2,1H3,(H,31,33);7-12,15,17-19,22H,3-6,13-14H2,1-2H3,(H2,32,33,36);7-15,17,20H,4-6H2,1-3H3,(H,31,34);5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34)/t2*23-;18-;;18-;;;/m101.1.../s1.
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate?
1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4188.79 g/mol, XLogP of 52.14, 63 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(1S)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxypyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158338953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).