6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate

C265H259Cl6F4N49O24S5 — CID 157438060

IUPAC6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate
SMILESCC(C)NS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CC2)cc1.CC(C)NS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CCC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4Cl)cc3n2C2CC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)C(F)(F)F)cc2)c(C#N)c2ccc(N3CCOCC3)cc21.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)c3ccc(F)cc3)cc2)c(C#N)c2ccc(N3CCOCC3)cc21.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.N#Cc1c(-c2ccc(NS(=O)(=O)NCC3CC3)cc2)n(C2CC2)c2cc(Oc3nccnc3Cl)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)NCC3CC3)cc2)n(C2CCC2)c2cc(Oc3nccnc3Cl)ccc12
InChIInChI=1S/C31H31FN4O3.C27H25ClN6O3S.C27H30N4O2.C26H23ClN6O3S.C26H25ClN6O3S.C26H23ClN4O.C26H27F3N4O3.C26H30N4O2S.C25H23ClN6O3S.C25H22ClN5O/c1-20(2)36-29-18-26(35-14-16-38-17-15-35)12-13-27(29)28(19-33)30(36)23-6-10-25(11-7-23)34-31(37)39-21(3)22-4-8-24(32)9-5-22;28-26-27(31-13-12-30-26)37-21-10-11-22-23(15-29)25(34(24(22)14-21)20-2-1-3-20)18-6-8-19(9-7-18)33-38(35,36)32-16-17-4-5-17;1-18(2)33-27(32)29-20-10-8-19(9-11-20)26-24(17-28)23-13-12-22(30-14-3-4-15-30)16-25(23)31(26)21-6-5-7-21;27-25-26(30-12-11-29-25)36-20-9-10-21-22(14-28)24(33(19-7-8-19)23(21)13-20)17-3-5-18(6-4-17)32-37(34,35)31-15-16-1-2-16;1-16(2)31-37(34,35)32-18-8-6-17(7-9-18)24-22(15-28)21-11-10-20(36-26-25(27)29-12-13-30-26)14-23(21)33(24)19-4-3-5-19;1-16(2)30-18-7-5-17(6-8-18)25-22(15-28)21-12-11-20(14-24(21)31(25)19-9-10-19)32-26-23(27)4-3-13-29-26;1-16(2)33-23-14-20(32-10-12-35-13-11-32)8-9-21(23)22(15-30)24(33)18-4-6-19(7-5-18)31-25(34)36-17(3)26(27,28)29;1-2-16-33(31,32)28-20-10-8-19(9-11-20)26-24(18-27)23-13-12-22(29-14-3-4-15-29)17-25(23)30(26)21-6-5-7-21;1-15(2)30-36(33,34)31-17-5-3-16(4-6-17)23-21(14-27)20-10-9-19(13-22(20)32(23)18-7-8-18)35-25-24(26)28-11-12-29-25;1-15(2)30-17-5-3-16(4-6-17)23-21(14-27)20-10-9-19(13-22(20)31(23)18-7-8-18)32-25-24(26)28-11-12-29-25/h4-13,18,20-21H,14-17H2,1-3H3,(H,34,37);6-14,17,20,32-33H,1-5,16H2;8-13,16,18,21H,3-7,14-15H2,1-2H3,(H,29,32);3-6,9-13,16,19,31-32H,1-2,7-8,15H2;6-14,16,19,31-32H,3-5H2,1-2H3;3-8,11-14,16,19,30H,9-10H2,1-2H3;4-9,14,16-17H,10-13H2,1-3H3,(H,31,34);8-13,17,21,28H,2-7,14-16H2,1H3;3-6,9-13,15,18,30-31H,7-8H2,1-2H3;3-6,9-13,15,18,30H,7-8H2,1-2H3/t21-;;;;;;17-;;;/m1.....1.../s1
InChIKeyBRILPHBJELJIBN-BQDKTBALSA-N
MW4963.35 g/mol
LogP61.41
Rot. Bonds69

About 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate

6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate (PubChem CID 157438060) has the molecular formula C265H259Cl6F4N49O24S5 and a molecular weight of 4963.35 g/mol. Its IUPAC name is 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate
PubChem CID157438060
Molecular FormulaC265H259Cl6F4N49O24S5
Molecular Weight4963.35 g/mol
Exact Mass4956.72
IUPAC Name6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate
SMILESCC(C)NS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CC2)cc1.CC(C)NS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CCC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4Cl)cc3n2C2CC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)C(F)(F)F)cc2)c(C#N)c2ccc(N3CCOCC3)cc21.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)c3ccc(F)cc3)cc2)c(C#N)c2ccc(N3CCOCC3)cc21.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.N#Cc1c(-c2ccc(NS(=O)(=O)NCC3CC3)cc2)n(C2CC2)c2cc(Oc3nccnc3Cl)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)NCC3CC3)cc2)n(C2CCC2)c2cc(Oc3nccnc3Cl)ccc12
InChIInChI=1S/C31H31FN4O3.C27H25ClN6O3S.C27H30N4O2.C26H23ClN6O3S.C26H25ClN6O3S.C26H23ClN4O.C26H27F3N4O3.C26H30N4O2S.C25H23ClN6O3S.C25H22ClN5O/c1-20(2)36-29-18-26(35-14-16-38-17-15-35)12-13-27(29)28(19-33)30(36)23-6-10-25(11-7-23)34-31(37)39-21(3)22-4-8-24(32)9-5-22;28-26-27(31-13-12-30-26)37-21-10-11-22-23(15-29)25(34(24(22)14-21)20-2-1-3-20)18-6-8-19(9-7-18)33-38(35,36)32-16-17-4-5-17;1-18(2)33-27(32)29-20-10-8-19(9-11-20)26-24(17-28)23-13-12-22(30-14-3-4-15-30)16-25(23)31(26)21-6-5-7-21;27-25-26(30-12-11-29-25)36-20-9-10-21-22(14-28)24(33(19-7-8-19)23(21)13-20)17-3-5-18(6-4-17)32-37(34,35)31-15-16-1-2-16;1-16(2)31-37(34,35)32-18-8-6-17(7-9-18)24-22(15-28)21-11-10-20(36-26-25(27)29-12-13-30-26)14-23(21)33(24)19-4-3-5-19;1-16(2)30-18-7-5-17(6-8-18)25-22(15-28)21-12-11-20(14-24(21)31(25)19-9-10-19)32-26-23(27)4-3-13-29-26;1-16(2)33-23-14-20(32-10-12-35-13-11-32)8-9-21(23)22(15-30)24(33)18-4-6-19(7-5-18)31-25(34)36-17(3)26(27,28)29;1-2-16-33(31,32)28-20-10-8-19(9-11-20)26-24(18-27)23-13-12-22(29-14-3-4-15-29)17-25(23)30(26)21-6-5-7-21;1-15(2)30-36(33,34)31-17-5-3-16(4-6-17)23-21(14-27)20-10-9-19(13-22(20)32(23)18-7-8-18)35-25-24(26)28-11-12-29-25;1-15(2)30-17-5-3-16(4-6-17)23-21(14-27)20-10-9-19(13-22(20)31(23)18-7-8-18)32-25-24(26)28-11-12-29-25/h4-13,18,20-21H,14-17H2,1-3H3,(H,34,37);6-14,17,20,32-33H,1-5,16H2;8-13,16,18,21H,3-7,14-15H2,1-2H3,(H,29,32);3-6,9-13,16,19,31-32H,1-2,7-8,15H2;6-14,16,19,31-32H,3-5H2,1-2H3;3-8,11-14,16,19,30H,9-10H2,1-2H3;4-9,14,16-17H,10-13H2,1-3H3,(H,31,34);8-13,17,21,28H,2-7,14-16H2,1H3;3-6,9-13,15,18,30-31H,7-8H2,1-2H3;3-6,9-13,15,18,30H,7-8H2,1-2H3/t21-;;;;;;17-;;;/m1.....1.../s1
InChIKeyBRILPHBJELJIBN-BQDKTBALSA-N
XLogP61.41
TPSA933.81 Ų
H-Bond Donors14
H-Bond Acceptors61
Rotatable Bonds69
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004963.35
LogP ≤ 561.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1061

Analyze 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate?
The IUPAC name of 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate (CID 157438060) is 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate is CC(C)NS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CC2)cc1.CC(C)NS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CCC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4Cl)cc3n2C2CC2)cc1.CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4Cl)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)C(F)(F)F)cc2)c(C#N)c2ccc(N3CCOCC3)cc21.CC(C)n1c(-c2ccc(NC(=O)O[C@H](C)c3ccc(F)cc3)cc2)c(C#N)c2ccc(N3CCOCC3)cc21.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCC4)cc3n2C2CCC2)cc1.N#Cc1c(-c2ccc(NS(=O)(=O)NCC3CC3)cc2)n(C2CC2)c2cc(Oc3nccnc3Cl)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)NCC3CC3)cc2)n(C2CCC2)c2cc(Oc3nccnc3Cl)ccc12.
What is the InChIKey of 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate?
The InChIKey is BRILPHBJELJIBN-BQDKTBALSA-N. The full InChI is InChI=1S/C31H31FN4O3.C27H25ClN6O3S.C27H30N4O2.C26H23ClN6O3S.C26H25ClN6O3S.C26H23ClN4O.C26H27F3N4O3.C26H30N4O2S.C25H23ClN6O3S.C25H22ClN5O/c1-20(2)36-29-18-26(35-14-16-38-17-15-35)12-13-27(29)28(19-33)30(36)23-6-10-25(11-7-23)34-31(37)39-21(3)22-4-8-24(32)9-5-22;28-26-27(31-13-12-30-26)37-21-10-11-22-23(15-29)25(34(24(22)14-21)20-2-1-3-20)18-6-8-19(9-7-18)33-38(35,36)32-16-17-4-5-17;1-18(2)33-27(32)29-20-10-8-19(9-11-20)26-24(17-28)23-13-12-22(30-14-3-4-15-30)16-25(23)31(26)21-6-5-7-21;27-25-26(30-12-11-29-25)36-20-9-10-21-22(14-28)24(33(19-7-8-19)23(21)13-20)17-3-5-18(6-4-17)32-37(34,35)31-15-16-1-2-16;1-16(2)31-37(34,35)32-18-8-6-17(7-9-18)24-22(15-28)21-11-10-20(36-26-25(27)29-12-13-30-26)14-23(21)33(24)19-4-3-5-19;1-16(2)30-18-7-5-17(6-8-18)25-22(15-28)21-12-11-20(14-24(21)31(25)19-9-10-19)32-26-23(27)4-3-13-29-26;1-16(2)33-23-14-20(32-10-12-35-13-11-32)8-9-21(23)22(15-30)24(33)18-4-6-19(7-5-18)31-25(34)36-17(3)26(27,28)29;1-2-16-33(31,32)28-20-10-8-19(9-11-20)26-24(18-27)23-13-12-22(29-14-3-4-15-29)17-25(23)30(26)21-6-5-7-21;1-15(2)30-36(33,34)31-17-5-3-16(4-6-17)23-21(14-27)20-10-9-19(13-22(20)32(23)18-7-8-18)35-25-24(26)28-11-12-29-25;1-15(2)30-17-5-3-16(4-6-17)23-21(14-27)20-10-9-19(13-22(20)31(23)18-7-8-18)32-25-24(26)28-11-12-29-25/h4-13,18,20-21H,14-17H2,1-3H3,(H,34,37);6-14,17,20,32-33H,1-5,16H2;8-13,16,18,21H,3-7,14-15H2,1-2H3,(H,29,32);3-6,9-13,16,19,31-32H,1-2,7-8,15H2;6-14,16,19,31-32H,3-5H2,1-2H3;3-8,11-14,16,19,30H,9-10H2,1-2H3;4-9,14,16-17H,10-13H2,1-3H3,(H,31,34);8-13,17,21,28H,2-7,14-16H2,1H3;3-6,9-13,15,18,30-31H,7-8H2,1-2H3;3-6,9-13,15,18,30H,7-8H2,1-2H3/t21-;;;;;;17-;;;/m1.....1.../s1.
What are the key properties of 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate?
6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate has a molecular weight of 4963.35 g/mol, XLogP of 61.41, 69 rotatable bonds, 14 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(cyclopropylmethylsulfamoylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;6-(3-chloropyrazin-2-yl)oxy-1-cyclopropyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;6-[(3-chloro-2-pyridinyl)oxy]-1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-6-morpholin-4-yl-1-propan-2-ylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157438060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).