N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate

C166H155F8N27O16S4 — CID 158050207

IUPACN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1C(F)(F)F)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.N#Cc1c(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1c(-c2ccc(NCC(F)F)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12.N#Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CCC4)cc3)n(CC3CC3)c2c1
InChIInChI=1S/C30H29N5O3S.C29H27N5O3S.C28H27F4N3O3.C28H24N6O3S.C28H27N5O3S.C23H21F4N3O/c1-19(2)18-39(36,37)34-27-12-9-21(14-20(27)3)29-26(17-32)25-11-10-24(15-28(25)35(29)23-7-4-8-23)38-30-22(16-31)6-5-13-33-30;1-3-14-38(35,36)33-26-12-9-20(15-19(26)2)28-25(18-31)24-11-10-23(16-27(24)34(28)22-7-4-8-22)37-29-21(17-30)6-5-13-32-29;1-16(17-5-6-17)38-27(36)34-24-10-7-18(13-23(24)28(30,31)32)26-22(15-33)21-9-8-20(37-12-11-29)14-25(21)35(26)19-3-2-4-19;29-15-24-23-11-10-21(37-28-25(16-30)31-12-13-32-28)14-26(23)34(17-18-4-5-18)27(24)19-6-8-20(9-7-19)33-38(35,36)22-2-1-3-22;29-18-25-24-10-9-23(36-28-30-13-2-14-31-28)17-26(24)33(22-3-1-4-22)27(25)19-5-7-20(8-6-19)32-21-11-15-37(34,35)16-12-21;24-21(25)12-29-15-6-4-14(5-7-15)23-19(11-28)18-10-17(31-13-22(26)27)8-9-20(18)30(23)16-2-1-3-16/h5-6,9-15,19,23,34H,4,7-8,18H2,1-3H3;5-6,9-13,15-16,22,33H,3-4,7-8,14H2,1-2H3;7-10,13-14,16-17,19H,2-6,11-12H2,1H3,(H,34,36);6-14,18,22,33H,1-5,17H2;2,5-10,13-14,17,21-22,32H,1,3-4,11-12,15-16H2;4-10,16,21-22,29H,1-3,12-13H2/t;;16-;;;/m..1.../s1
InChIKeyFJJRMJNQEVDJAI-SXWUZRILSA-N
MW3064.49 g/mol
LogP37.75
Rot. Bonds46

About N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate

N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 158050207) has the molecular formula C166H155F8N27O16S4 and a molecular weight of 3064.49 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate
PubChem CID158050207
Molecular FormulaC166H155F8N27O16S4
Molecular Weight3064.49 g/mol
Exact Mass3062.09
IUPAC NameN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1C(F)(F)F)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.N#Cc1c(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1c(-c2ccc(NCC(F)F)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12.N#Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CCC4)cc3)n(CC3CC3)c2c1
InChIInChI=1S/C30H29N5O3S.C29H27N5O3S.C28H27F4N3O3.C28H24N6O3S.C28H27N5O3S.C23H21F4N3O/c1-19(2)18-39(36,37)34-27-12-9-21(14-20(27)3)29-26(17-32)25-11-10-24(15-28(25)35(29)23-7-4-8-23)38-30-22(16-31)6-5-13-33-30;1-3-14-38(35,36)33-26-12-9-20(15-19(26)2)28-25(18-31)24-11-10-23(16-27(24)34(28)22-7-4-8-22)37-29-21(17-30)6-5-13-32-29;1-16(17-5-6-17)38-27(36)34-24-10-7-18(13-23(24)28(30,31)32)26-22(15-33)21-9-8-20(37-12-11-29)14-25(21)35(26)19-3-2-4-19;29-15-24-23-11-10-21(37-28-25(16-30)31-12-13-32-28)14-26(23)34(17-18-4-5-18)27(24)19-6-8-20(9-7-19)33-38(35,36)22-2-1-3-22;29-18-25-24-10-9-23(36-28-30-13-2-14-31-28)17-26(24)33(22-3-1-4-22)27(25)19-5-7-20(8-6-19)32-21-11-15-37(34,35)16-12-21;24-21(25)12-29-15-6-4-14(5-7-15)23-19(11-28)18-10-17(31-13-22(26)27)8-9-20(18)30(23)16-2-1-3-16/h5-6,9-15,19,23,34H,4,7-8,18H2,1-3H3;5-6,9-13,15-16,22,33H,3-4,7-8,14H2,1-2H3;7-10,13-14,16-17,19H,2-6,11-12H2,1H3,(H,34,36);6-14,18,22,33H,1-5,17H2;2,5-10,13-14,17,21-22,32H,1,3-4,11-12,15-16H2;4-10,16,21-22,29H,1-3,12-13H2/t;;16-;;;/m..1.../s1
InChIKeyFJJRMJNQEVDJAI-SXWUZRILSA-N
XLogP37.75
TPSA611.45 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds46
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003064.49
LogP ≤ 537.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)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
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
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
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 157438060
CID 157438060
CID 157632056
CID 157632056
CID 157834402
CID 157834402

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate (CID 158050207) is N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1C(F)(F)F)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.N#Cc1c(-c2ccc(NC3CCS(=O)(=O)CC3)cc2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1c(-c2ccc(NCC(F)F)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12.N#Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)C4CCC4)cc3)n(CC3CC3)c2c1.
What is the InChIKey of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is FJJRMJNQEVDJAI-SXWUZRILSA-N. The full InChI is InChI=1S/C30H29N5O3S.C29H27N5O3S.C28H27F4N3O3.C28H24N6O3S.C28H27N5O3S.C23H21F4N3O/c1-19(2)18-39(36,37)34-27-12-9-21(14-20(27)3)29-26(17-32)25-11-10-24(15-28(25)35(29)23-7-4-8-23)38-30-22(16-31)6-5-13-33-30;1-3-14-38(35,36)33-26-12-9-20(15-19(26)2)28-25(18-31)24-11-10-23(16-27(24)34(28)22-7-4-8-22)37-29-21(17-30)6-5-13-32-29;1-16(17-5-6-17)38-27(36)34-24-10-7-18(13-23(24)28(30,31)32)26-22(15-33)21-9-8-20(37-12-11-29)14-25(21)35(26)19-3-2-4-19;29-15-24-23-11-10-21(37-28-25(16-30)31-12-13-32-28)14-26(23)34(17-18-4-5-18)27(24)19-6-8-20(9-7-19)33-38(35,36)22-2-1-3-22;29-18-25-24-10-9-23(36-28-30-13-2-14-31-28)17-26(24)33(22-3-1-4-22)27(25)19-5-7-20(8-6-19)32-21-11-15-37(34,35)16-12-21;24-21(25)12-29-15-6-4-14(5-7-15)23-19(11-28)18-10-17(31-13-22(26)27)8-9-20(18)30(23)16-2-1-3-16/h5-6,9-15,19,23,34H,4,7-8,18H2,1-3H3;5-6,9-13,15-16,22,33H,3-4,7-8,14H2,1-2H3;7-10,13-14,16-17,19H,2-6,11-12H2,1H3,(H,34,36);6-14,18,22,33H,1-5,17H2;2,5-10,13-14,17,21-22,32H,1,3-4,11-12,15-16H2;4-10,16,21-22,29H,1-3,12-13H2/t;;16-;;;/m..1.../s1.
What are the key properties of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate?
N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 3064.49 g/mol, XLogP of 37.75, 46 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-(cyclopropylmethyl)indol-2-yl]phenyl]cyclobutanesulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]-2-methylphenyl]propane-1-sulfonamide;1-cyclobutyl-5-(2,2-difluoroethoxy)-2-[4-(2,2-difluoroethylamino)phenyl]indole-3-carbonitrile;1-cyclobutyl-2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 158050207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).