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

C210H206F19N29O26S2 — CID 157180987

IUPACN-[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
SMILESCC(C)NC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F.CC(C)NC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H](O)CO)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CC2)c(C)c1.C[C@@H](OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2CC2CC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H](O)CO)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C28H25F3N4O3S.C28H31N3O5.C27H26F3N3O3.C27H24F2N6O2.C25H22F5N3O3.C25H25F3N4O2.C25H24F3N3O3.C25H29N3O5S/c1-3-13-39(36,37)34-18-6-10-21(17(2)14-18)26-23(16-32)22-11-9-20(15-25(22)35(26)19-7-8-19)38-27-24(28(29,30)31)5-4-12-33-27;1-17(18-5-6-18)36-28(34)30-20-9-7-19(8-10-20)27-25(14-29)24-12-11-23(35-16-22(33)15-32)13-26(24)31(27)21-3-2-4-21;1-15(16-5-6-16)36-27(34)32-25-22(29)11-17(12-23(25)30)26-21(14-31)20-8-7-19(35-10-9-28)13-24(20)33(26)18-3-2-4-18;1-15(2)33-26(36)34-24-21(28)11-16(12-22(24)29)25-20(14-30)19-8-7-18(37-27-31-9-4-10-32-27)13-23(19)35(25)17-5-3-6-17;1-14(25(28,29)30)36-24(34)32-17-6-4-16(5-7-17)23-20(11-31)19-9-8-18(35-13-22(26)27)10-21(19)33(23)12-15-2-3-15;1-14(2)30-25(33)31-23-20(27)10-15(11-21(23)28)24-19(13-29)18-7-6-17(34-9-8-26)12-22(18)32(24)16-4-3-5-16;1-14(2)34-25(32)30-23-20(27)10-15(11-21(23)28)24-19(13-29)18-7-6-17(33-9-8-26)12-22(18)31(24)16-4-3-5-16;1-2-12-34(31,32)27-18-8-6-17(7-9-18)25-23(14-26)22-11-10-21(33-16-20(30)15-29)13-24(22)28(25)19-4-3-5-19/h4-6,9-12,14-15,19,34H,3,7-8,13H2,1-2H3;7-13,17-18,21-22,32-33H,2-6,15-16H2,1H3,(H,30,34);7-8,11-13,15-16,18H,2-6,9-10H2,1H3,(H,32,34);4,7-13,15,17H,3,5-6H2,1-2H3,(H2,33,34,36);4-10,14-15,22H,2-3,12-13H2,1H3,(H,32,34);6-7,10-12,14,16H,3-5,8-9H2,1-2H3,(H2,30,31,33);6-7,10-12,14,16H,3-5,8-9H2,1-2H3,(H,30,32);6-11,13,19-20,27,29-30H,2-5,12,15-16H2,1H3/t;17-,22+;15-;;14-;;;20-/m.11.1..0/s1
InChIKeyAOOJIQRXRMYOHD-UEGAEJTKSA-N
MW3977.23 g/mol
LogP48.41
Rot. Bonds63

About 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

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 (PubChem CID 157180987) has the molecular formula C210H206F19N29O26S2 and a molecular weight of 3977.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157180987
Molecular FormulaC210H206F19N29O26S2
Molecular Weight3977.23 g/mol
Exact Mass3974.48
IUPAC NameN-[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
SMILESCC(C)NC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F.CC(C)NC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H](O)CO)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CC2)c(C)c1.C[C@@H](OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2CC2CC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H](O)CO)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C28H25F3N4O3S.C28H31N3O5.C27H26F3N3O3.C27H24F2N6O2.C25H22F5N3O3.C25H25F3N4O2.C25H24F3N3O3.C25H29N3O5S/c1-3-13-39(36,37)34-18-6-10-21(17(2)14-18)26-23(16-32)22-11-9-20(15-25(22)35(26)19-7-8-19)38-27-24(28(29,30)31)5-4-12-33-27;1-17(18-5-6-18)36-28(34)30-20-9-7-19(8-10-20)27-25(14-29)24-12-11-23(35-16-22(33)15-32)13-26(24)31(27)21-3-2-4-21;1-15(16-5-6-16)36-27(34)32-25-22(29)11-17(12-23(25)30)26-21(14-31)20-8-7-19(35-10-9-28)13-24(20)33(26)18-3-2-4-18;1-15(2)33-26(36)34-24-21(28)11-16(12-22(24)29)25-20(14-30)19-8-7-18(37-27-31-9-4-10-32-27)13-23(19)35(25)17-5-3-6-17;1-14(25(28,29)30)36-24(34)32-17-6-4-16(5-7-17)23-20(11-31)19-9-8-18(35-13-22(26)27)10-21(19)33(23)12-15-2-3-15;1-14(2)30-25(33)31-23-20(27)10-15(11-21(23)28)24-19(13-29)18-7-6-17(34-9-8-26)12-22(18)32(24)16-4-3-5-16;1-14(2)34-25(32)30-23-20(27)10-15(11-21(23)28)24-19(13-29)18-7-6-17(33-9-8-26)12-22(18)31(24)16-4-3-5-16;1-2-12-34(31,32)27-18-8-6-17(7-9-18)25-23(14-26)22-11-10-21(33-16-20(30)15-29)13-24(22)28(25)19-4-3-5-19/h4-6,9-12,14-15,19,34H,3,7-8,13H2,1-2H3;7-13,17-18,21-22,32-33H,2-6,15-16H2,1H3,(H,30,34);7-8,11-13,15-16,18H,2-6,9-10H2,1H3,(H,32,34);4,7-13,15,17H,3,5-6H2,1-2H3,(H2,33,34,36);4-10,14-15,22H,2-3,12-13H2,1H3,(H,32,34);6-7,10-12,14,16H,3-5,8-9H2,1-2H3,(H2,30,31,33);6-7,10-12,14,16H,3-5,8-9H2,1-2H3,(H,30,32);6-11,13,19-20,27,29-30H,2-5,12,15-16H2,1H3/t;17-,22+;15-;;14-;;;20-/m.11.1..0/s1
InChIKeyAOOJIQRXRMYOHD-UEGAEJTKSA-N
XLogP48.41
TPSA751.11 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds63
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003977.23
LogP ≤ 548.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

Analyze 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 with MolForge

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Related Compounds

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
2-chloropyrimidine;[3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indol-6-yl] trifluoromethanesulfonate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-hydroxyindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]phenyl]carbamate;dichloromethane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157204313
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
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
N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157796223
CID 157834402
CID 157834402
CID 157892881
CID 157892881
CID 157936386
CID 157936386
CID 157949272
CID 157949272

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F.CC(C)NC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.CC(C)OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H](O)CO)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CC2)c(C)c1.C[C@@H](OC(=O)Nc1c(F)cc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2CC2CC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC[C@@H](O)CO)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of 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?
The InChIKey is AOOJIQRXRMYOHD-UEGAEJTKSA-N. The full InChI is InChI=1S/C28H25F3N4O3S.C28H31N3O5.C27H26F3N3O3.C27H24F2N6O2.C25H22F5N3O3.C25H25F3N4O2.C25H24F3N3O3.C25H29N3O5S/c1-3-13-39(36,37)34-18-6-10-21(17(2)14-18)26-23(16-32)22-11-9-20(15-25(22)35(26)19-7-8-19)38-27-24(28(29,30)31)5-4-12-33-27;1-17(18-5-6-18)36-28(34)30-20-9-7-19(8-10-20)27-25(14-29)24-12-11-23(35-16-22(33)15-32)13-26(24)31(27)21-3-2-4-21;1-15(16-5-6-16)36-27(34)32-25-22(29)11-17(12-23(25)30)26-21(14-31)20-8-7-19(35-10-9-28)13-24(20)33(26)18-3-2-4-18;1-15(2)33-26(36)34-24-21(28)11-16(12-22(24)29)25-20(14-30)19-8-7-18(37-27-31-9-4-10-32-27)13-23(19)35(25)17-5-3-6-17;1-14(25(28,29)30)36-24(34)32-17-6-4-16(5-7-17)23-20(11-31)19-9-8-18(35-13-22(26)27)10-21(19)33(23)12-15-2-3-15;1-14(2)30-25(33)31-23-20(27)10-15(11-21(23)28)24-19(13-29)18-7-6-17(34-9-8-26)12-22(18)32(24)16-4-3-5-16;1-14(2)34-25(32)30-23-20(27)10-15(11-21(23)28)24-19(13-29)18-7-6-17(33-9-8-26)12-22(18)31(24)16-4-3-5-16;1-2-12-34(31,32)27-18-8-6-17(7-9-18)25-23(14-26)22-11-10-21(33-16-20(30)15-29)13-24(22)28(25)19-4-3-5-19/h4-6,9-12,14-15,19,34H,3,7-8,13H2,1-2H3;7-13,17-18,21-22,32-33H,2-6,15-16H2,1H3,(H,30,34);7-8,11-13,15-16,18H,2-6,9-10H2,1H3,(H,32,34);4,7-13,15,17H,3,5-6H2,1-2H3,(H2,33,34,36);4-10,14-15,22H,2-3,12-13H2,1H3,(H,32,34);6-7,10-12,14,16H,3-5,8-9H2,1-2H3,(H2,30,31,33);6-7,10-12,14,16H,3-5,8-9H2,1-2H3,(H,30,32);6-11,13,19-20,27,29-30H,2-5,12,15-16H2,1H3/t;17-,22+;15-;;14-;;;20-/m.11.1..0/s1.
What are the key properties of 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?
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 has a molecular weight of 3977.23 g/mol, XLogP of 48.41, 63 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157180987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).