N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate

C224H216F11N35O26S3 — CID 157344993

IUPACN-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate
SMILESCC(C)Nc1ccc(-c2c(C#N)c3ccc(OCCCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(OCCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1OC(F)(F)F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4F)cc3n2CC2CC2)c(C)c1.C[C@@H](OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1OC(F)(F)F)C1CC1.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(CC4CC4)c3c2)n1
InChIInChI=1S/C31H31N5O3.C30H26F3N5O4.C29H25F2N5O3.C28H24F3N5O4.C28H27FN4O3S.C27H23F2N5O3.C26H31N3O3S.C25H29N3O3S/c1-18-14-23(35-31(37)38-20(3)22-6-7-22)8-10-25(18)29-27(16-32)26-11-9-24(39-30-33-13-12-19(2)34-30)15-28(26)36(29)17-21-4-5-21;1-17(18-6-7-18)40-29(39)37-24-11-8-19(14-26(24)42-30(31,32)33)27-23(16-34)22-10-9-21(41-28-35-12-3-13-36-28)15-25(22)38(27)20-4-2-5-20;1-16(17-6-7-17)38-29(37)35-26-23(30)12-18(13-24(26)31)27-22(15-32)21-9-8-20(39-28-33-10-3-11-34-28)14-25(21)36(27)19-4-2-5-19;1-16(2)38-27(37)35-22-10-7-17(13-24(22)40-28(29,30)31)25-21(15-32)20-9-8-19(39-26-33-11-4-12-34-26)14-23(20)36(25)18-5-3-6-18;1-3-13-37(34,35)32-20-8-10-22(18(2)14-20)27-24(16-30)23-11-9-21(36-28-25(29)5-4-12-31-28)15-26(23)33(27)17-19-6-7-19;1-15(2)36-27(35)33-24-21(28)11-16(12-22(24)29)25-20(14-30)19-8-7-18(37-26-31-9-4-10-32-26)13-23(19)34(25)17-5-3-6-17;1-18(2)28-21-9-7-20(8-10-21)26-24(16-27)23-12-11-22(32-13-4-14-33(3,30)31)15-25(23)29(26)17-19-5-6-19;1-17(2)27-20-8-6-19(7-9-20)25-23(15-26)22-11-10-21(31-12-13-32(3,29)30)14-24(22)28(25)16-18-4-5-18/h8-15,20-22H,4-7,17H2,1-3H3,(H,35,37);3,8-15,17-18,20H,2,4-7H2,1H3,(H,37,39);3,8-14,16-17,19H,2,4-7H2,1H3,(H,35,37);4,7-14,16,18H,3,5-6H2,1-2H3,(H,35,37);4-5,8-12,14-15,19,32H,3,6-7,13,17H2,1-2H3;4,7-13,15,17H,3,5-6H2,1-2H3,(H,33,35);7-12,15,18-19,28H,4-6,13-14,17H2,1-3H3;6-11,14,17-18,27H,4-5,12-13,16H2,1-3H3/t20-;17-;16-;;;;;/m111...../s1
InChIKeyBGVUNTLURHQLGB-TUXKJOBLSA-N
MW4119.59 g/mol
LogP52.48
Rot. Bonds64

About N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate

N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate (PubChem CID 157344993) has the molecular formula C224H216F11N35O26S3 and a molecular weight of 4119.59 g/mol. Its IUPAC name is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate
PubChem CID157344993
Molecular FormulaC224H216F11N35O26S3
Molecular Weight4119.59 g/mol
Exact Mass4116.56
IUPAC NameN-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate
SMILESCC(C)Nc1ccc(-c2c(C#N)c3ccc(OCCCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(OCCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1OC(F)(F)F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4F)cc3n2CC2CC2)c(C)c1.C[C@@H](OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1OC(F)(F)F)C1CC1.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(CC4CC4)c3c2)n1
InChIInChI=1S/C31H31N5O3.C30H26F3N5O4.C29H25F2N5O3.C28H24F3N5O4.C28H27FN4O3S.C27H23F2N5O3.C26H31N3O3S.C25H29N3O3S/c1-18-14-23(35-31(37)38-20(3)22-6-7-22)8-10-25(18)29-27(16-32)26-11-9-24(39-30-33-13-12-19(2)34-30)15-28(26)36(29)17-21-4-5-21;1-17(18-6-7-18)40-29(39)37-24-11-8-19(14-26(24)42-30(31,32)33)27-23(16-34)22-10-9-21(41-28-35-12-3-13-36-28)15-25(22)38(27)20-4-2-5-20;1-16(17-6-7-17)38-29(37)35-26-23(30)12-18(13-24(26)31)27-22(15-32)21-9-8-20(39-28-33-10-3-11-34-28)14-25(21)36(27)19-4-2-5-19;1-16(2)38-27(37)35-22-10-7-17(13-24(22)40-28(29,30)31)25-21(15-32)20-9-8-19(39-26-33-11-4-12-34-26)14-23(20)36(25)18-5-3-6-18;1-3-13-37(34,35)32-20-8-10-22(18(2)14-20)27-24(16-30)23-11-9-21(36-28-25(29)5-4-12-31-28)15-26(23)33(27)17-19-6-7-19;1-15(2)36-27(35)33-24-21(28)11-16(12-22(24)29)25-20(14-30)19-8-7-18(37-26-31-9-4-10-32-26)13-23(19)34(25)17-5-3-6-17;1-18(2)28-21-9-7-20(8-10-21)26-24(16-27)23-12-11-22(32-13-4-14-33(3,30)31)15-25(23)29(26)17-19-5-6-19;1-17(2)27-20-8-6-19(7-9-20)25-23(15-26)22-11-10-21(31-12-13-32(3,29)30)14-24(22)28(25)16-18-4-5-18/h8-15,20-22H,4-7,17H2,1-3H3,(H,35,37);3,8-15,17-18,20H,2,4-7H2,1H3,(H,37,39);3,8-14,16-17,19H,2,4-7H2,1H3,(H,35,37);4,7-14,16,18H,3,5-6H2,1-2H3,(H,35,37);4-5,8-12,14-15,19,32H,3,6-7,13,17H2,1-2H3;4,7-13,15,17H,3,5-6H2,1-2H3,(H,33,35);7-12,15,18-19,28H,4-6,13-14,17H2,1-3H3;6-11,14,17-18,27H,4-5,12-13,16H2,1-3H3/t20-;17-;16-;;;;;/m111...../s1
InChIKeyBGVUNTLURHQLGB-TUXKJOBLSA-N
XLogP52.48
TPSA794.01 Ų
H-Bond Donors8
H-Bond Acceptors55
Rotatable Bonds64
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004119.59
LogP ≤ 552.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1055

Analyze N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate with MolForge

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Related Compounds

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]-1-cyclobutyl-6-pyrimidin-2-yloxyindole-3-carbonitrile;N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide;1-cyclobutyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;1-cyclobutyl-6-(oxan-4-yloxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate
CID 157098919
CID 157153677
CID 157153677
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
N-[4-[6-[(3-bromo-2-pyridinyl)oxy]-3-cyano-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-[(3-fluoro-2-pyridinyl)oxy]-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(4-methylpyrimidin-2-yl)oxy-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-(propan-2-ylamino)phenyl]-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[6-(5-chloro-2-pyridinyl)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[6-(6-chloro-2-pyridinyl)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]phenyl]carbamate
CID 157210131
CID 157214734
CID 157214734
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
CID 157301426
CID 157301426
bis(N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide);N-[4-[3-cyano-1-cyclobutyl-6-(4-methyl-2-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(5-methyl-2-pyridinyl)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrrolidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrazin-2-yloxyindol-2-yl]phenyl]carbamate
CID 157377299
CID 157628918
CID 157628918
N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-methylbutanamide;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-2-methylpropane-1-sulfonamide;1-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-pyridin-2-ylindole-3-carbonitrile;1-cyclobutyl-2-[4-(3-methylbutylamino)phenyl]-6-pyridin-2-ylindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate
CID 157767149
CID 157834402
CID 157834402

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate (CID 157344993) is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate is CC(C)Nc1ccc(-c2c(C#N)c3ccc(OCCCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(OCCS(C)(=O)=O)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1OC(F)(F)F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4F)cc3n2CC2CC2)c(C)c1.C[C@@H](OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1OC(F)(F)F)C1CC1.Cc1ccnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)O[C@H](C)C5CC5)cc4C)n(CC4CC4)c3c2)n1.
What is the InChIKey of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is BGVUNTLURHQLGB-TUXKJOBLSA-N. The full InChI is InChI=1S/C31H31N5O3.C30H26F3N5O4.C29H25F2N5O3.C28H24F3N5O4.C28H27FN4O3S.C27H23F2N5O3.C26H31N3O3S.C25H29N3O3S/c1-18-14-23(35-31(37)38-20(3)22-6-7-22)8-10-25(18)29-27(16-32)26-11-9-24(39-30-33-13-12-19(2)34-30)15-28(26)36(29)17-21-4-5-21;1-17(18-6-7-18)40-29(39)37-24-11-8-19(14-26(24)42-30(31,32)33)27-23(16-34)22-10-9-21(41-28-35-12-3-13-36-28)15-25(22)38(27)20-4-2-5-20;1-16(17-6-7-17)38-29(37)35-26-23(30)12-18(13-24(26)31)27-22(15-32)21-9-8-20(39-28-33-10-3-11-34-28)14-25(21)36(27)19-4-2-5-19;1-16(2)38-27(37)35-22-10-7-17(13-24(22)40-28(29,30)31)25-21(15-32)20-9-8-19(39-26-33-11-4-12-34-26)14-23(20)36(25)18-5-3-6-18;1-3-13-37(34,35)32-20-8-10-22(18(2)14-20)27-24(16-30)23-11-9-21(36-28-25(29)5-4-12-31-28)15-26(23)33(27)17-19-6-7-19;1-15(2)36-27(35)33-24-21(28)11-16(12-22(24)29)25-20(14-30)19-8-7-18(37-26-31-9-4-10-32-26)13-23(19)34(25)17-5-3-6-17;1-18(2)28-21-9-7-20(8-10-21)26-24(16-27)23-12-11-22(32-13-4-14-33(3,30)31)15-25(23)29(26)17-19-5-6-19;1-17(2)27-20-8-6-19(7-9-20)25-23(15-26)22-11-10-21(31-12-13-32(3,29)30)14-24(22)28(25)16-18-4-5-18/h8-15,20-22H,4-7,17H2,1-3H3,(H,35,37);3,8-15,17-18,20H,2,4-7H2,1H3,(H,37,39);3,8-14,16-17,19H,2,4-7H2,1H3,(H,35,37);4,7-14,16,18H,3,5-6H2,1-2H3,(H,35,37);4-5,8-12,14-15,19,32H,3,6-7,13,17H2,1-2H3;4,7-13,15,17H,3,5-6H2,1-2H3,(H,33,35);7-12,15,18-19,28H,4-6,13-14,17H2,1-3H3;6-11,14,17-18,27H,4-5,12-13,16H2,1-3H3/t20-;17-;16-;;;;;/m111...../s1.
What are the key properties of N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate?
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 4119.59 g/mol, XLogP of 52.48, 64 rotatable bonds, 8 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[(3-fluoro-2-pyridinyl)oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(4-methylpyrimidin-2-yl)oxyindol-2-yl]-3-methylphenyl]carbamate;1-(cyclopropylmethyl)-6-(2-methylsulfonylethoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;1-(cyclopropylmethyl)-6-(3-methylsulfonylpropoxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 157344993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).