[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

C281H283F3N42O33S4 — CID 158424190

IUPAC[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSc4ncccn4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@@H](C)c4ccncc4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)c4ccncc4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.CSCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O[C@H]4CCOC4)cc3n2C2CCC2)cc1)C1CC1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1
InChIInChI=1S/C29H29N5O3S.C29H29N5O3.2C29H28N4O3.C29H31N3O4.C28H29N5O3S2.C28H31N3O4.C27H22F3N5O3.C27H27N5O4.C26H29N3O3S/c1-19(2)37-29(35)33-21-9-7-20(8-10-21)27-25(18-30)24-12-11-23(17-26(24)34(27)22-5-3-6-22)36-15-16-38-28-31-13-4-14-32-28;1-17(2)34-26-15-23(37-28-18(3)31-13-14-32-28)11-12-24(26)25(16-30)27(34)21-7-9-22(10-8-21)33-29(35)36-19(4)20-5-6-20;2*1-3-35-24-11-12-25-26(18-30)28(33(27(25)17-24)23-5-4-6-23)21-7-9-22(10-8-21)32-29(34)36-19(2)20-13-15-31-16-14-20;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-26(16-30)25-12-11-23(36-24-13-14-34-17-24)15-27(25)32(28)22-3-2-4-22;1-17(2)36-27(34)30-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(15-25(23)33(26)21-5-4-6-21)35-13-14-37-28-32-31-18(3)38-28;1-18(19-6-7-19)35-28(32)30-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(34-15-14-33-2)16-26(24)31(27)22-4-3-5-22;1-16(27(28,29)30)37-26(36)34-18-8-6-17(7-9-18)24-22(15-31)21-11-10-20(38-25-32-12-3-13-33-25)14-23(21)35(24)19-4-2-5-19;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)36-31-25)13-24(22)32(26)20-5-4-6-20;1-17(2)32-26(30)28-19-9-7-18(8-10-19)25-23(16-27)22-12-11-21(31-13-14-33-3)15-24(22)29(25)20-5-4-6-20/h4,7-14,17,19,22H,3,5-6,15-16H2,1-2H3,(H,33,35);7-15,17,19-20H,5-6H2,1-4H3,(H,33,35);2*7-17,19,23H,3-6H2,1-2H3,(H,32,34);7-12,15,18-19,22,24H,2-6,13-14,17H2,1H3,(H,31,33);7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,30,34);8-13,16,18-19,22H,3-7,14-15H2,1-2H3,(H,30,32);3,6-14,16,19H,2,4-5H2,1H3,(H,34,36);7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-12,15,17,20H,4-6,13-14H2,1-3H3,(H,28,30)/t;3*19-;18-,24+;;18-;;;/m.1101.1.../s1
InChIKeyHAVRZQDZAKBLCS-YSWJLUCWSA-N
MW4961.88 g/mol
LogP67.45
Rot. Bonds76

About [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 158424190) has the molecular formula C281H283F3N42O33S4 and a molecular weight of 4961.88 g/mol. Its IUPAC name is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID158424190
Molecular FormulaC281H283F3N42O33S4
Molecular Weight4961.88 g/mol
Exact Mass4958.06
IUPAC Name[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSc4ncccn4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@@H](C)c4ccncc4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)c4ccncc4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.CSCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O[C@H]4CCOC4)cc3n2C2CCC2)cc1)C1CC1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1
InChIInChI=1S/C29H29N5O3S.C29H29N5O3.2C29H28N4O3.C29H31N3O4.C28H29N5O3S2.C28H31N3O4.C27H22F3N5O3.C27H27N5O4.C26H29N3O3S/c1-19(2)37-29(35)33-21-9-7-20(8-10-21)27-25(18-30)24-12-11-23(17-26(24)34(27)22-5-3-6-22)36-15-16-38-28-31-13-4-14-32-28;1-17(2)34-26-15-23(37-28-18(3)31-13-14-32-28)11-12-24(26)25(16-30)27(34)21-7-9-22(10-8-21)33-29(35)36-19(4)20-5-6-20;2*1-3-35-24-11-12-25-26(18-30)28(33(27(25)17-24)23-5-4-6-23)21-7-9-22(10-8-21)32-29(34)36-19(2)20-13-15-31-16-14-20;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-26(16-30)25-12-11-23(36-24-13-14-34-17-24)15-27(25)32(28)22-3-2-4-22;1-17(2)36-27(34)30-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(15-25(23)33(26)21-5-4-6-21)35-13-14-37-28-32-31-18(3)38-28;1-18(19-6-7-19)35-28(32)30-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(34-15-14-33-2)16-26(24)31(27)22-4-3-5-22;1-16(27(28,29)30)37-26(36)34-18-8-6-17(7-9-18)24-22(15-31)21-11-10-20(38-25-32-12-3-13-33-25)14-23(21)35(24)19-4-2-5-19;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)36-31-25)13-24(22)32(26)20-5-4-6-20;1-17(2)32-26(30)28-19-9-7-18(8-10-19)25-23(16-27)22-12-11-21(31-13-14-33-3)15-24(22)29(25)20-5-4-6-20/h4,7-14,17,19,22H,3,5-6,15-16H2,1-2H3,(H,33,35);7-15,17,19-20H,5-6H2,1-4H3,(H,33,35);2*7-17,19,23H,3-6H2,1-2H3,(H,32,34);7-12,15,18-19,22,24H,2-6,13-14,17H2,1H3,(H,31,33);7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,30,34);8-13,16,18-19,22H,3-7,14-15H2,1-2H3,(H,30,32);3,6-14,16,19H,2,4-5H2,1H3,(H,34,36);7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-12,15,17,20H,4-6,13-14H2,1-3H3,(H,28,30)/t;3*19-;18-,24+;;18-;;;/m.1101.1.../s1
InChIKeyHAVRZQDZAKBLCS-YSWJLUCWSA-N
XLogP67.45
TPSA949.08 Ų
H-Bond Donors10
H-Bond Acceptors69
Rotatable Bonds76
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004961.88
LogP ≤ 567.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1069

Analyze [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate with MolForge

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What is the IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (CID 158424190) is [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSc4ncccn4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1)C(F)(F)F.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@@H](C)c4ccncc4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)c4ccncc4)cc3)n(C3CCC3)c2c1.COCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C3CCC3)c2c1.CSCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O[C@H]4CCOC4)cc3n2C2CCC2)cc1)C1CC1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1.
What is the InChIKey of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is HAVRZQDZAKBLCS-YSWJLUCWSA-N. The full InChI is InChI=1S/C29H29N5O3S.C29H29N5O3.2C29H28N4O3.C29H31N3O4.C28H29N5O3S2.C28H31N3O4.C27H22F3N5O3.C27H27N5O4.C26H29N3O3S/c1-19(2)37-29(35)33-21-9-7-20(8-10-21)27-25(18-30)24-12-11-23(17-26(24)34(27)22-5-3-6-22)36-15-16-38-28-31-13-4-14-32-28;1-17(2)34-26-15-23(37-28-18(3)31-13-14-32-28)11-12-24(26)25(16-30)27(34)21-7-9-22(10-8-21)33-29(35)36-19(4)20-5-6-20;2*1-3-35-24-11-12-25-26(18-30)28(33(27(25)17-24)23-5-4-6-23)21-7-9-22(10-8-21)32-29(34)36-19(2)20-13-15-31-16-14-20;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-26(16-30)25-12-11-23(36-24-13-14-34-17-24)15-27(25)32(28)22-3-2-4-22;1-17(2)36-27(34)30-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(15-25(23)33(26)21-5-4-6-21)35-13-14-37-28-32-31-18(3)38-28;1-18(19-6-7-19)35-28(32)30-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(34-15-14-33-2)16-26(24)31(27)22-4-3-5-22;1-16(27(28,29)30)37-26(36)34-18-8-6-17(7-9-18)24-22(15-31)21-11-10-20(38-25-32-12-3-13-33-25)14-23(21)35(24)19-4-2-5-19;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)36-31-25)13-24(22)32(26)20-5-4-6-20;1-17(2)32-26(30)28-19-9-7-18(8-10-19)25-23(16-27)22-12-11-21(31-13-14-33-3)15-24(22)29(25)20-5-4-6-20/h4,7-14,17,19,22H,3,5-6,15-16H2,1-2H3,(H,33,35);7-15,17,19-20H,5-6H2,1-4H3,(H,33,35);2*7-17,19,23H,3-6H2,1-2H3,(H,32,34);7-12,15,18-19,22,24H,2-6,13-14,17H2,1H3,(H,31,33);7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,30,34);8-13,16,18-19,22H,3-7,14-15H2,1-2H3,(H,30,32);3,6-14,16,19H,2,4-5H2,1H3,(H,34,36);7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-12,15,17,20H,4-6,13-14H2,1-3H3,(H,28,30)/t;3*19-;18-,24+;;18-;;;/m.1101.1.../s1.
What are the key properties of [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 4961.88 g/mol, XLogP of 67.45, 76 rotatable bonds, 10 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(3S)-oxolan-3-yl]oxyindol-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;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-methylsulfanylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-pyrimidin-2-ylsulfanylethoxy)indol-2-yl]phenyl]carbamate;[(1S)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-pyridin-4-ylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158424190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).