N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile

C165H135F8N33O13S4 — CID 159970525

IUPACN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(N(CCF)c3nc(C(F)(F)F)cs3)cc2)n(C2CC2)c2cc(OCCF)ccc12.N#Cc1c(-c2ccc(Nc3nc(C(F)(F)F)cs3)cc2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(N4CCCC4=O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C30H26N6O3.C28H22N6O2.C28H25N5O3S.C27H19F3N6OS.C26H21F5N4OS.C26H22N6O3S/c1-18(19-5-6-19)38-30(37)35-21-9-7-20(8-10-21)28-25(16-31)24-12-11-23(15-27(24)36(28)22-3-2-4-22)39-29-26(17-32)33-13-14-34-29;29-16-23-22-11-10-21(36-28-24(17-30)31-12-13-32-28)15-25(22)34(20-3-1-4-20)27(23)18-6-8-19(9-7-18)33-14-2-5-26(33)35;1-2-15-37(34,35)32-21-10-8-19(9-11-21)27-25(18-30)24-13-12-23(16-26(24)33(27)22-6-3-7-22)36-28-20(17-29)5-4-14-31-28;28-27(29,30)23-15-38-26(35-23)34-17-7-5-16(6-8-17)24-21(14-31)20-10-9-19(37-25-32-11-2-12-33-25)13-22(20)36(24)18-3-1-4-18;27-9-11-34(25-33-23(15-37-25)26(29,30)31)17-3-1-16(2-4-17)24-21(14-32)20-8-7-19(36-12-10-28)13-22(20)35(24)18-5-6-18;1-2-13-36(33,34)31-18-5-3-17(4-6-18)25-22(15-27)21-10-9-20(14-24(21)32(25)19-7-8-19)35-26-23(16-28)29-11-12-30-26/h7-15,18-19,22H,2-6H2,1H3,(H,35,37);6-13,15,20H,1-5,14H2;4-5,8-14,16,22,32H,2-3,6-7,15H2,1H3;2,5-13,15,18H,1,3-4H2,(H,34,35);1-4,7-8,13,15,18H,5-6,9-12H2;3-6,9-12,14,19,31H,2,7-8,13H2,1H3/t18-;;;;;/m1...../s1
InChIKeyOEMHZPODSNVPGZ-AJVOAMKVSA-N
MW3068.36 g/mol
LogP38.58
Rot. Bonds43

About N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile

N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile (PubChem CID 159970525) has the molecular formula C165H135F8N33O13S4 and a molecular weight of 3068.36 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile
PubChem CID159970525
Molecular FormulaC165H135F8N33O13S4
Molecular Weight3068.36 g/mol
Exact Mass3065.97
IUPAC NameN-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(N(CCF)c3nc(C(F)(F)F)cs3)cc2)n(C2CC2)c2cc(OCCF)ccc12.N#Cc1c(-c2ccc(Nc3nc(C(F)(F)F)cs3)cc2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(N4CCCC4=O)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C30H26N6O3.C28H22N6O2.C28H25N5O3S.C27H19F3N6OS.C26H21F5N4OS.C26H22N6O3S/c1-18(19-5-6-19)38-30(37)35-21-9-7-20(8-10-21)28-25(16-31)24-12-11-23(15-27(24)36(28)22-3-2-4-22)39-29-26(17-32)33-13-14-34-29;29-16-23-22-11-10-21(36-28-24(17-30)31-12-13-32-28)15-25(22)34(20-3-1-4-20)27(23)18-6-8-19(9-7-18)33-14-2-5-26(33)35;1-2-15-37(34,35)32-21-10-8-19(9-11-21)27-25(18-30)24-13-12-23(16-26(24)33(27)22-6-3-7-22)36-28-20(17-29)5-4-14-31-28;28-27(29,30)23-15-38-26(35-23)34-17-7-5-16(6-8-17)24-21(14-31)20-10-9-19(37-25-32-11-2-12-33-25)13-22(20)36(24)18-3-1-4-18;27-9-11-34(25-33-23(15-37-25)26(29,30)31)17-3-1-16(2-4-17)24-21(14-32)20-8-7-19(36-12-10-28)13-22(20)35(24)18-5-6-18;1-2-13-36(33,34)31-18-5-3-17(4-6-18)25-22(15-27)21-10-9-20(14-24(21)32(25)19-7-8-19)35-26-23(16-28)29-11-12-30-26/h7-15,18-19,22H,2-6H2,1H3,(H,35,37);6-13,15,20H,1-5,14H2;4-5,8-14,16,22,32H,2-3,6-7,15H2,1H3;2,5-13,15,18H,1,3-4H2,(H,34,35);1-4,7-8,13,15,18H,5-6,9-12H2;3-6,9-12,14,19,31H,2,7-8,13H2,1H3/t18-;;;;;/m1...../s1
InChIKeyOEMHZPODSNVPGZ-AJVOAMKVSA-N
XLogP38.58
TPSA630.90 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds43
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003068.36
LogP ≤ 538.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile 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 157214734
CID 157214734
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-(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-methyl-1,3-thiazol-2-yl)amino]phenyl]indole-3-carbonitrile
CID 157242210
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 157879237
CID 157879237
CID 157892881
CID 157892881
CID 157936386
CID 157936386
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
CID 158091194
CID 158091194
1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;1-cyclopropyl-6-(oxan-4-yloxy)-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(1-ethylimidazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
CID 158131561
CID 158385604
CID 158385604

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
The IUPAC name of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile (CID 159970525) is N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile.
What is the SMILES notation for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
The canonical SMILES for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccc4C#N)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccnc4C#N)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(N(CCF)c3nc(C(F)(F)F)cs3)cc2)n(C2CC2)c2cc(OCCF)ccc12.N#Cc1c(-c2ccc(Nc3nc(C(F)(F)F)cs3)cc2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1nccnc1Oc1ccc2c(C#N)c(-c3ccc(N4CCCC4=O)cc3)n(C3CCC3)c2c1.
What is the InChIKey of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
The InChIKey is OEMHZPODSNVPGZ-AJVOAMKVSA-N. The full InChI is InChI=1S/C30H26N6O3.C28H22N6O2.C28H25N5O3S.C27H19F3N6OS.C26H21F5N4OS.C26H22N6O3S/c1-18(19-5-6-19)38-30(37)35-21-9-7-20(8-10-21)28-25(16-31)24-12-11-23(15-27(24)36(28)22-3-2-4-22)39-29-26(17-32)33-13-14-34-29;29-16-23-22-11-10-21(36-28-24(17-30)31-12-13-32-28)15-25(22)34(20-3-1-4-20)27(23)18-6-8-19(9-7-18)33-14-2-5-26(33)35;1-2-15-37(34,35)32-21-10-8-19(9-11-21)27-25(18-30)24-13-12-23(16-26(24)33(27)22-6-3-7-22)36-28-20(17-29)5-4-14-31-28;28-27(29,30)23-15-38-26(35-23)34-17-7-5-16(6-8-17)24-21(14-31)20-10-9-19(37-25-32-11-2-12-33-25)13-22(20)36(24)18-3-1-4-18;27-9-11-34(25-33-23(15-37-25)26(29,30)31)17-3-1-16(2-4-17)24-21(14-32)20-8-7-19(36-12-10-28)13-22(20)35(24)18-5-6-18;1-2-13-36(33,34)31-18-5-3-17(4-6-18)25-22(15-27)21-10-9-20(14-24(21)32(25)19-7-8-19)35-26-23(16-28)29-11-12-30-26/h7-15,18-19,22H,2-6H2,1H3,(H,35,37);6-13,15,20H,1-5,14H2;4-5,8-14,16,22,32H,2-3,6-7,15H2,1H3;2,5-13,15,18H,1,3-4H2,(H,34,35);1-4,7-8,13,15,18H,5-6,9-12H2;3-6,9-12,14,19,31H,2,7-8,13H2,1H3/t18-;;;;;/m1...../s1.
What are the key properties of N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile?
N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile has a molecular weight of 3068.36 g/mol, XLogP of 38.58, 43 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclopropylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[(3-cyano-2-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide;6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-6-(3-cyanopyrazin-2-yl)oxy-1-cyclobutylindol-2-yl]phenyl]carbamate;1-cyclopropyl-6-(2-fluoroethoxy)-2-[4-[2-fluoroethyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 159970525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).