N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate

C270H259F10N43O23S10 — CID 159077537

IUPACN-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccnn4C)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccc4OC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4=O)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ccccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ncccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCS(=O)(=O)CC4)cc3n2C2CC2)cc1)C1CC1.Cc1csc(Nc2ccc(-c3c(C#N)c4ccc(OCCF)cc4n3C3CCC3)cc2)n1.N#Cc1c(-c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12.N#Cc1c(-c2ccc(Nc3nc(C(F)(F)F)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12
InChIInChI=1S/C30H24F2N4OS.C29H31N3O5S.C28H25F3N4O3S.C28H28N4O3S.C27H27N5O2S.C26H26N6O2S.C26H27N5O2S.C26H28N4O3S.C25H20F4N4OS.C25H23FN4OS/c31-14-15-37-24-12-13-25-26(17-33)29(36(28(25)16-24)23-2-1-3-23)20-6-10-22(11-7-20)34-30-35-27(18-38-30)19-4-8-21(32)9-5-19;1-18(19-2-3-19)36-29(33)31-21-6-4-20(5-7-21)28-26(17-30)25-11-10-24(16-27(25)32(28)22-8-9-22)37-23-12-14-38(34,35)15-13-23;1-2-15-39(36,37)34-19-10-8-18(9-11-19)26-23(17-32)22-13-12-21(16-25(22)35(26)20-5-3-6-20)38-27-24(28(29,30)31)7-4-14-33-27;1-3-15-36(33,34)31-21-10-7-19(8-11-21)28-24(17-29)23-12-9-20(25-18-30-14-13-27(25)35-2)16-26(23)32(28)22-5-4-6-22;1-2-16-35(33,34)31-20-11-9-19(10-12-20)27-24(18-28)23-14-13-21(30-26-8-3-4-15-29-26)17-25(23)32(27)22-6-5-7-22;1-2-15-35(33,34)31-19-9-7-18(8-10-19)25-23(17-27)22-12-11-20(30-26-28-13-4-14-29-26)16-24(22)32(25)21-5-3-6-21;1-3-15-34(32,33)29-20-10-7-18(8-11-20)26-23(17-27)22-12-9-19(24-13-14-28-30(24)2)16-25(22)31(26)21-5-4-6-21;1-2-15-34(32,33)28-19-10-8-18(9-11-19)26-23(17-27)22-13-12-21(29-14-4-7-25(29)31)16-24(22)30(26)20-5-3-6-20;26-10-11-34-18-8-9-19-20(13-30)23(33(21(19)12-18)17-2-1-3-17)15-4-6-16(7-5-15)31-24-32-22(14-35-24)25(27,28)29;1-16-15-32-25(28-16)29-18-7-5-17(6-8-18)24-22(14-27)21-10-9-20(31-12-11-26)13-23(21)30(24)19-3-2-4-19/h4-13,16,18,23H,1-3,14-15H2,(H,34,35);4-7,10-11,16,18-19,22-23H,2-3,8-9,12-15H2,1H3,(H,31,33);4,7-14,16,20,34H,2-3,5-6,15H2,1H3;7-14,16,18,22,31H,3-6,15H2,1-2H3;3-4,8-15,17,22,31H,2,5-7,16H2,1H3,(H,29,30);4,7-14,16,21,31H,2-3,5-6,15H2,1H3,(H,28,29,30);7-14,16,21,29H,3-6,15H2,1-2H3;8-13,16,20,28H,2-7,14-15H2,1H3;4-9,12,14,17H,1-3,10-11H2,(H,31,32);5-10,13,15,19H,2-4,11-12H2,1H3,(H,28,29)/t;18-;;;;;;;;/m.1......../s1
InChIKeyKALAUQXIGDSBQQ-CZUNGAIESA-N
MW4984.97 g/mol
LogP64.13
Rot. Bonds75

About N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate (PubChem CID 159077537) has the molecular formula C270H259F10N43O23S10 and a molecular weight of 4984.97 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate
PubChem CID159077537
Molecular FormulaC270H259F10N43O23S10
Molecular Weight4984.97 g/mol
Exact Mass4980.75
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccnn4C)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccc4OC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4=O)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ccccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ncccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCS(=O)(=O)CC4)cc3n2C2CC2)cc1)C1CC1.Cc1csc(Nc2ccc(-c3c(C#N)c4ccc(OCCF)cc4n3C3CCC3)cc2)n1.N#Cc1c(-c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12.N#Cc1c(-c2ccc(Nc3nc(C(F)(F)F)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12
InChIInChI=1S/C30H24F2N4OS.C29H31N3O5S.C28H25F3N4O3S.C28H28N4O3S.C27H27N5O2S.C26H26N6O2S.C26H27N5O2S.C26H28N4O3S.C25H20F4N4OS.C25H23FN4OS/c31-14-15-37-24-12-13-25-26(17-33)29(36(28(25)16-24)23-2-1-3-23)20-6-10-22(11-7-20)34-30-35-27(18-38-30)19-4-8-21(32)9-5-19;1-18(19-2-3-19)36-29(33)31-21-6-4-20(5-7-21)28-26(17-30)25-11-10-24(16-27(25)32(28)22-8-9-22)37-23-12-14-38(34,35)15-13-23;1-2-15-39(36,37)34-19-10-8-18(9-11-19)26-23(17-32)22-13-12-21(16-25(22)35(26)20-5-3-6-20)38-27-24(28(29,30)31)7-4-14-33-27;1-3-15-36(33,34)31-21-10-7-19(8-11-21)28-24(17-29)23-12-9-20(25-18-30-14-13-27(25)35-2)16-26(23)32(28)22-5-4-6-22;1-2-16-35(33,34)31-20-11-9-19(10-12-20)27-24(18-28)23-14-13-21(30-26-8-3-4-15-29-26)17-25(23)32(27)22-6-5-7-22;1-2-15-35(33,34)31-19-9-7-18(8-10-19)25-23(17-27)22-12-11-20(30-26-28-13-4-14-29-26)16-24(22)32(25)21-5-3-6-21;1-3-15-34(32,33)29-20-10-7-18(8-11-20)26-23(17-27)22-12-9-19(24-13-14-28-30(24)2)16-25(22)31(26)21-5-4-6-21;1-2-15-34(32,33)28-19-10-8-18(9-11-19)26-23(17-27)22-13-12-21(29-14-4-7-25(29)31)16-24(22)30(26)20-5-3-6-20;26-10-11-34-18-8-9-19-20(13-30)23(33(21(19)12-18)17-2-1-3-17)15-4-6-16(7-5-15)31-24-32-22(14-35-24)25(27,28)29;1-16-15-32-25(28-16)29-18-7-5-17(6-8-18)24-22(14-27)21-10-9-20(31-12-11-26)13-23(21)30(24)19-3-2-4-19/h4-13,16,18,23H,1-3,14-15H2,(H,34,35);4-7,10-11,16,18-19,22-23H,2-3,8-9,12-15H2,1H3,(H,31,33);4,7-14,16,20,34H,2-3,5-6,15H2,1H3;7-14,16,18,22,31H,3-6,15H2,1-2H3;3-4,8-15,17,22,31H,2,5-7,16H2,1H3,(H,29,30);4,7-14,16,21,31H,2-3,5-6,15H2,1H3,(H,28,29,30);7-14,16,21,29H,3-6,15H2,1-2H3;8-13,16,20,28H,2-7,14-15H2,1H3;4-9,12,14,17H,1-3,10-11H2,(H,31,32);5-10,13,15,19H,2-4,11-12H2,1H3,(H,28,29)/t;18-;;;;;;;;/m.1......../s1
InChIKeyKALAUQXIGDSBQQ-CZUNGAIESA-N
XLogP64.13
TPSA893.47 Ų
H-Bond Donors12
H-Bond Acceptors61
Rotatable Bonds75
Heavy Atoms356
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004984.97
LogP ≤ 564.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1061

Analyze N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate (CID 159077537) is N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccnn4C)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccc4OC)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4=O)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ccccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Nc4ncccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C(F)(F)F)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCS(=O)(=O)CC4)cc3n2C2CC2)cc1)C1CC1.Cc1csc(Nc2ccc(-c3c(C#N)c4ccc(OCCF)cc4n3C3CCC3)cc2)n1.N#Cc1c(-c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12.N#Cc1c(-c2ccc(Nc3nc(C(F)(F)F)cs3)cc2)n(C2CCC2)c2cc(OCCF)ccc12.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate?
The InChIKey is KALAUQXIGDSBQQ-CZUNGAIESA-N. The full InChI is InChI=1S/C30H24F2N4OS.C29H31N3O5S.C28H25F3N4O3S.C28H28N4O3S.C27H27N5O2S.C26H26N6O2S.C26H27N5O2S.C26H28N4O3S.C25H20F4N4OS.C25H23FN4OS/c31-14-15-37-24-12-13-25-26(17-33)29(36(28(25)16-24)23-2-1-3-23)20-6-10-22(11-7-20)34-30-35-27(18-38-30)19-4-8-21(32)9-5-19;1-18(19-2-3-19)36-29(33)31-21-6-4-20(5-7-21)28-26(17-30)25-11-10-24(16-27(25)32(28)22-8-9-22)37-23-12-14-38(34,35)15-13-23;1-2-15-39(36,37)34-19-10-8-18(9-11-19)26-23(17-32)22-13-12-21(16-25(22)35(26)20-5-3-6-20)38-27-24(28(29,30)31)7-4-14-33-27;1-3-15-36(33,34)31-21-10-7-19(8-11-21)28-24(17-29)23-12-9-20(25-18-30-14-13-27(25)35-2)16-26(23)32(28)22-5-4-6-22;1-2-16-35(33,34)31-20-11-9-19(10-12-20)27-24(18-28)23-14-13-21(30-26-8-3-4-15-29-26)17-25(23)32(27)22-6-5-7-22;1-2-15-35(33,34)31-19-9-7-18(8-10-19)25-23(17-27)22-12-11-20(30-26-28-13-4-14-29-26)16-24(22)32(25)21-5-3-6-21;1-3-15-34(32,33)29-20-10-7-18(8-11-20)26-23(17-27)22-12-9-19(24-13-14-28-30(24)2)16-25(22)31(26)21-5-4-6-21;1-2-15-34(32,33)28-19-10-8-18(9-11-19)26-23(17-27)22-13-12-21(29-14-4-7-25(29)31)16-24(22)30(26)20-5-3-6-20;26-10-11-34-18-8-9-19-20(13-30)23(33(21(19)12-18)17-2-1-3-17)15-4-6-16(7-5-15)31-24-32-22(14-35-24)25(27,28)29;1-16-15-32-25(28-16)29-18-7-5-17(6-8-18)24-22(14-27)21-10-9-20(31-12-11-26)13-23(21)30(24)19-3-2-4-19/h4-13,16,18,23H,1-3,14-15H2,(H,34,35);4-7,10-11,16,18-19,22-23H,2-3,8-9,12-15H2,1H3,(H,31,33);4,7-14,16,20,34H,2-3,5-6,15H2,1H3;7-14,16,18,22,31H,3-6,15H2,1-2H3;3-4,8-15,17,22,31H,2,5-7,16H2,1H3,(H,29,30);4,7-14,16,21,31H,2-3,5-6,15H2,1H3,(H,28,29,30);7-14,16,21,29H,3-6,15H2,1-2H3;8-13,16,20,28H,2-7,14-15H2,1H3;4-9,12,14,17H,1-3,10-11H2,(H,31,32);5-10,13,15,19H,2-4,11-12H2,1H3,(H,28,29)/t;18-;;;;;;;;/m.1......../s1.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate?
N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate has a molecular weight of 4984.97 g/mol, XLogP of 64.13, 75 rotatable bonds, 12 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(4-methoxy-3-pyridinyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-methylpyrazol-3-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-oxopyrrolidin-1-yl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyridin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylamino)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-(2-fluoroethoxy)-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,1-dioxothian-4-yl)oxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159077537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).