1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate

C269H274F11N39O30S4 — CID 162044014

IUPAC1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnccn4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H]4COC(C)(C)O4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1CC.CCc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-n4cccn4)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12
InChIInChI=1S/C30H29N5O3.C29H31N5O3S.C28H29N5O3S.C28H27N5O2.C28H33N3O5S.C27H27F2N3O3.C26H25F2N3O3.C25H26F2N4O2.C25H25F2N3O3.C23H22F3N3O3S/c1-19(20-5-6-20)38-30(36)34-22-9-7-21(8-10-22)29-27(16-31)26-12-11-25(37-18-23-17-32-13-14-33-23)15-28(26)35(29)24-3-2-4-24;1-4-20-15-21(9-12-26(20)33-38(35,36)18-19(2)3)28-25(17-30)24-11-10-23(37-29-31-13-6-14-32-29)16-27(24)34(28)22-7-5-8-22;1-3-15-37(34,35)32-25-12-9-20(16-19(25)4-2)27-24(18-29)23-11-10-22(36-28-30-13-6-14-31-28)17-26(23)33(27)21-7-5-8-21;1-18(19-6-7-19)35-28(34)31-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(32-15-3-14-30-32)16-26(24)33(27)22-4-2-5-22;1-4-14-37(32,33)30-20-10-8-19(9-11-20)27-25(16-29)24-13-12-22(15-26(24)31(27)21-6-5-7-21)34-17-23-18-35-28(2,3)36-23;1-16(17-5-6-17)35-27(33)31-19-9-7-18(8-10-19)26-23(14-30)22-13-21(34-15-25(28)29)11-12-24(22)32(26)20-3-2-4-20;27-24(28)15-33-20-10-11-23-21(12-20)22(13-29)25(31(23)19-2-1-3-19)17-6-8-18(9-7-17)30-26(32)34-14-16-4-5-16;1-15(2)29-25(32)30-17-8-6-16(7-9-17)24-21(13-28)20-12-19(33-14-23(26)27)10-11-22(20)31(24)18-4-3-5-18;1-15(2)33-25(31)29-17-8-6-16(7-9-17)24-21(13-28)20-12-19(32-14-23(26)27)10-11-22(20)30(24)18-4-3-5-18;1-2-11-33(30,31)28-16-5-3-15(4-6-16)22-20(13-27)19-10-9-18(32-14-23(24,25)26)12-21(19)29(22)17-7-8-17/h7-15,17,19-20,24H,2-6,18H2,1H3,(H,34,36);6,9-16,19,22,33H,4-5,7-8,18H2,1-3H3;6,9-14,16-17,21,32H,3-5,7-8,15H2,1-2H3;3,8-16,18-19,22H,2,4-7H2,1H3,(H,31,34);8-13,15,21,23,30H,4-7,14,17-18H2,1-3H3;7-13,16-17,20,25H,2-6,15H2,1H3,(H,31,33);6-12,16,19,24H,1-5,14-15H2,(H,30,32);6-12,15,18,23H,3-5,14H2,1-2H3,(H2,29,30,32);6-12,15,18,23H,3-5,14H2,1-2H3,(H,29,31);3-6,9-10,12,17,28H,2,7-8,11,14H2,1H3/t;;;18-;23-;16-;;;;/m...111..../s1
InChIKeyYXQOLEJHCIOBNG-CERZBDMWSA-N
MW4870.64 g/mol
LogP62.89
Rot. Bonds79

About 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate

1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 162044014) has the molecular formula C269H274F11N39O30S4 and a molecular weight of 4870.64 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
PubChem CID162044014
Molecular FormulaC269H274F11N39O30S4
Molecular Weight4870.64 g/mol
Exact Mass4866.98
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnccn4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H]4COC(C)(C)O4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1CC.CCc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-n4cccn4)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12
InChIInChI=1S/C30H29N5O3.C29H31N5O3S.C28H29N5O3S.C28H27N5O2.C28H33N3O5S.C27H27F2N3O3.C26H25F2N3O3.C25H26F2N4O2.C25H25F2N3O3.C23H22F3N3O3S/c1-19(20-5-6-20)38-30(36)34-22-9-7-21(8-10-22)29-27(16-31)26-12-11-25(37-18-23-17-32-13-14-33-23)15-28(26)35(29)24-3-2-4-24;1-4-20-15-21(9-12-26(20)33-38(35,36)18-19(2)3)28-25(17-30)24-11-10-23(37-29-31-13-6-14-32-29)16-27(24)34(28)22-7-5-8-22;1-3-15-37(34,35)32-25-12-9-20(16-19(25)4-2)27-24(18-29)23-11-10-22(36-28-30-13-6-14-31-28)17-26(23)33(27)21-7-5-8-21;1-18(19-6-7-19)35-28(34)31-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(32-15-3-14-30-32)16-26(24)33(27)22-4-2-5-22;1-4-14-37(32,33)30-20-10-8-19(9-11-20)27-25(16-29)24-13-12-22(15-26(24)31(27)21-6-5-7-21)34-17-23-18-35-28(2,3)36-23;1-16(17-5-6-17)35-27(33)31-19-9-7-18(8-10-19)26-23(14-30)22-13-21(34-15-25(28)29)11-12-24(22)32(26)20-3-2-4-20;27-24(28)15-33-20-10-11-23-21(12-20)22(13-29)25(31(23)19-2-1-3-19)17-6-8-18(9-7-17)30-26(32)34-14-16-4-5-16;1-15(2)29-25(32)30-17-8-6-16(7-9-17)24-21(13-28)20-12-19(33-14-23(26)27)10-11-22(20)31(24)18-4-3-5-18;1-15(2)33-25(31)29-17-8-6-16(7-9-17)24-21(13-28)20-12-19(32-14-23(26)27)10-11-22(20)30(24)18-4-3-5-18;1-2-11-33(30,31)28-16-5-3-15(4-6-16)22-20(13-27)19-10-9-18(32-14-23(24,25)26)12-21(19)29(22)17-7-8-17/h7-15,17,19-20,24H,2-6,18H2,1H3,(H,34,36);6,9-16,19,22,33H,4-5,7-8,18H2,1-3H3;6,9-14,16-17,21,32H,3-5,7-8,15H2,1-2H3;3,8-16,18-19,22H,2,4-7H2,1H3,(H,31,34);8-13,15,21,23,30H,4-7,14,17-18H2,1-3H3;7-13,16-17,20,25H,2-6,15H2,1H3,(H,31,33);6-12,16,19,24H,1-5,14-15H2,(H,30,32);6-12,15,18,23H,3-5,14H2,1-2H3,(H2,29,30,32);6-12,15,18,23H,3-5,14H2,1-2H3,(H,29,31);3-6,9-10,12,17,28H,2,7-8,11,14H2,1H3/t;;;18-;23-;16-;;;;/m...111..../s1
InChIKeyYXQOLEJHCIOBNG-CERZBDMWSA-N
XLogP62.89
TPSA901.35 Ų
H-Bond Donors11
H-Bond Acceptors58
Rotatable Bonds79
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004870.64
LogP ≤ 562.89
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1058

Analyze 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate with MolForge

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What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate (CID 162044014) is 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnccn4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2C2CC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H]4COC(C)(C)O4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1CC.CCc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-n4cccn4)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is YXQOLEJHCIOBNG-CERZBDMWSA-N. The full InChI is InChI=1S/C30H29N5O3.C29H31N5O3S.C28H29N5O3S.C28H27N5O2.C28H33N3O5S.C27H27F2N3O3.C26H25F2N3O3.C25H26F2N4O2.C25H25F2N3O3.C23H22F3N3O3S/c1-19(20-5-6-20)38-30(36)34-22-9-7-21(8-10-22)29-27(16-31)26-12-11-25(37-18-23-17-32-13-14-33-23)15-28(26)35(29)24-3-2-4-24;1-4-20-15-21(9-12-26(20)33-38(35,36)18-19(2)3)28-25(17-30)24-11-10-23(37-29-31-13-6-14-32-29)16-27(24)34(28)22-7-5-8-22;1-3-15-37(34,35)32-25-12-9-20(16-19(25)4-2)27-24(18-29)23-11-10-22(36-28-30-13-6-14-31-28)17-26(23)33(27)21-7-5-8-21;1-18(19-6-7-19)35-28(34)31-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(32-15-3-14-30-32)16-26(24)33(27)22-4-2-5-22;1-4-14-37(32,33)30-20-10-8-19(9-11-20)27-25(16-29)24-13-12-22(15-26(24)31(27)21-6-5-7-21)34-17-23-18-35-28(2,3)36-23;1-16(17-5-6-17)35-27(33)31-19-9-7-18(8-10-19)26-23(14-30)22-13-21(34-15-25(28)29)11-12-24(22)32(26)20-3-2-4-20;27-24(28)15-33-20-10-11-23-21(12-20)22(13-29)25(31(23)19-2-1-3-19)17-6-8-18(9-7-17)30-26(32)34-14-16-4-5-16;1-15(2)29-25(32)30-17-8-6-16(7-9-17)24-21(13-28)20-12-19(33-14-23(26)27)10-11-22(20)31(24)18-4-3-5-18;1-15(2)33-25(31)29-17-8-6-16(7-9-17)24-21(13-28)20-12-19(32-14-23(26)27)10-11-22(20)30(24)18-4-3-5-18;1-2-11-33(30,31)28-16-5-3-15(4-6-16)22-20(13-27)19-10-9-18(32-14-23(24,25)26)12-21(19)29(22)17-7-8-17/h7-15,17,19-20,24H,2-6,18H2,1H3,(H,34,36);6,9-16,19,22,33H,4-5,7-8,18H2,1-3H3;6,9-14,16-17,21,32H,3-5,7-8,15H2,1-2H3;3,8-16,18-19,22H,2,4-7H2,1H3,(H,31,34);8-13,15,21,23,30H,4-7,14,17-18H2,1-3H3;7-13,16-17,20,25H,2-6,15H2,1H3,(H,31,33);6-12,16,19,24H,1-5,14-15H2,(H,30,32);6-12,15,18,23H,3-5,14H2,1-2H3,(H2,29,30,32);6-12,15,18,23H,3-5,14H2,1-2H3,(H,29,31);3-6,9-10,12,17,28H,2,7-8,11,14H2,1H3/t;;;18-;23-;16-;;;;/m...111..../s1.
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?
1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4870.64 g/mol, XLogP of 62.89, 79 rotatable bonds, 11 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclobutyl-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]-2-methylpropane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-ethylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 162044014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).