2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile

C142H135F25N32O18S9 — CID 160748747

IUPAC2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
SMILESCCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2ccc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(S(=O)(=O)C(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(SC(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(CC(F)(F)F)c(=O)c2n1C.CCSc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(CC(F)(F)F)c(=O)c2n1C.CCn1c(C(F)(F)F)cc2nc(-c3ccc(C(C)(C)C#N)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C23H23F3N4O3S.C22H23F3N4O3S.C21H19F6N5O3S.C21H19F6N5OS.C19H17F3N4O2S.C18H17F2N5O4S2.C18H17F2N5O2S2/c1-5-34(32,33)17-10-13(22(2,3)12-27)6-9-15(17)20-28-16-11-18(23(24,25)26)30(14-7-8-14)21(31)19(16)29(20)4;1-6-29-17(22(23,24)25)11-15-18(20(29)30)28(5)19(27-15)14-9-8-13(21(3,4)12-26)10-16(14)33(31,32)7-2;1-5-36(34,35)13-6-11(19(2,3)9-28)8-29-15(13)17-30-12-7-14(21(25,26)27)32(10-20(22,23)24)18(33)16(12)31(17)4;1-5-34-13-6-11(19(2,3)9-28)8-29-15(13)17-30-12-7-14(21(25,26)27)32(10-20(22,23)24)18(33)16(12)31(17)4;1-4-29(27,28)15-7-13(18(2,3)11-23)9-24-17(15)14-10-26-6-5-12(19(20,21)22)8-16(26)25-14;1-4-30(26,27)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(6-14(25)24-12)31(28,29)17(19)20;1-4-29(26,27)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(28-17(19)20)6-14(25)24-12/h6,9-11,14H,5,7-8H2,1-4H3;8-11H,6-7H2,1-5H3;6-8H,5,10H2,1-4H3;6-8H,5,10H2,1-4H3;5-10H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3
InChIKeyRWNMGNDHHADJGC-UHFFFAOYSA-N
MW3341.40 g/mol
LogP27.74
Rot. Bonds36

About 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile

2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile (PubChem CID 160748747) has the molecular formula C142H135F25N32O18S9 and a molecular weight of 3341.40 g/mol. Its IUPAC name is 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
PubChem CID160748747
Molecular FormulaC142H135F25N32O18S9
Molecular Weight3341.40 g/mol
Exact Mass3338.77
IUPAC Name2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
SMILESCCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2ccc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(S(=O)(=O)C(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(SC(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(CC(F)(F)F)c(=O)c2n1C.CCSc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(CC(F)(F)F)c(=O)c2n1C.CCn1c(C(F)(F)F)cc2nc(-c3ccc(C(C)(C)C#N)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C23H23F3N4O3S.C22H23F3N4O3S.C21H19F6N5O3S.C21H19F6N5OS.C19H17F3N4O2S.C18H17F2N5O4S2.C18H17F2N5O2S2/c1-5-34(32,33)17-10-13(22(2,3)12-27)6-9-15(17)20-28-16-11-18(23(24,25)26)30(14-7-8-14)21(31)19(16)29(20)4;1-6-29-17(22(23,24)25)11-15-18(20(29)30)28(5)19(27-15)14-9-8-13(21(3,4)12-26)10-16(14)33(31,32)7-2;1-5-36(34,35)13-6-11(19(2,3)9-28)8-29-15(13)17-30-12-7-14(21(25,26)27)32(10-20(22,23)24)18(33)16(12)31(17)4;1-5-34-13-6-11(19(2,3)9-28)8-29-15(13)17-30-12-7-14(21(25,26)27)32(10-20(22,23)24)18(33)16(12)31(17)4;1-4-29(27,28)15-7-13(18(2,3)11-23)9-24-17(15)14-10-26-6-5-12(19(20,21)22)8-16(26)25-14;1-4-30(26,27)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(6-14(25)24-12)31(28,29)17(19)20;1-4-29(26,27)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(28-17(19)20)6-14(25)24-12/h6,9-11,14H,5,7-8H2,1-4H3;8-11H,6-7H2,1-5H3;6-8H,5,10H2,1-4H3;6-8H,5,10H2,1-4H3;5-10H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3
InChIKeyRWNMGNDHHADJGC-UHFFFAOYSA-N
XLogP27.74
TPSA706.92 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds36
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003341.40
LogP ≤ 527.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[7-(Difluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(1,1,2,2,2-pentafluoroethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 157504965
2-(Cyclopropylamino)-1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]ethanone;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(7-cyclopropylsulfonyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-b]pyridine;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 159235317
N-[diethyl(oxo)-lambda6-sulfanylidene]-3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzamide;N-[diethyl(oxo)-lambda6-sulfanylidene]-5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyridine-3-carboxamide;N-[diethyl(oxo)-lambda6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]pyridine-3-carboxamide;N-[dimethyl(oxo)-lambda6-sulfanylidene]-3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzamide;N-[dimethyl(oxo)-lambda6-sulfanylidene]-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-b]pyridin-2-yl]pyridine-3-carboxamide;N-(ethyl-methyl-oxo-lambda6-sulfanylidene)-5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]pyridine-3-carboxamide
CID 160608134
2-[6-[5-Cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfinyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[3-ethylsulfonyl-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-methylpropanenitrile;2-[3-ethylsulfonyl-4-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]phenyl]-2-methylpropanenitrile
CID 162186618
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]pyrrolo[2,3-c]pyridine-4-carboxamide;3-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]imidazo[1,5-a]pyrazine-8-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide
CID 162155639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile (CID 160748747) is 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile is CCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2ccc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(S(=O)(=O)C(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(SC(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(CC(F)(F)F)c(=O)c2n1C.CCSc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(CC(F)(F)F)c(=O)c2n1C.CCn1c(C(F)(F)F)cc2nc(-c3ccc(C(C)(C)C#N)cc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile?
The InChIKey is RWNMGNDHHADJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S.C22H23F3N4O3S.C21H19F6N5O3S.C21H19F6N5OS.C19H17F3N4O2S.C18H17F2N5O4S2.C18H17F2N5O2S2/c1-5-34(32,33)17-10-13(22(2,3)12-27)6-9-15(17)20-28-16-11-18(23(24,25)26)30(14-7-8-14)21(31)19(16)29(20)4;1-6-29-17(22(23,24)25)11-15-18(20(29)30)28(5)19(27-15)14-9-8-13(21(3,4)12-26)10-16(14)33(31,32)7-2;1-5-36(34,35)13-6-11(19(2,3)9-28)8-29-15(13)17-30-12-7-14(21(25,26)27)32(10-20(22,23)24)18(33)16(12)31(17)4;1-5-34-13-6-11(19(2,3)9-28)8-29-15(13)17-30-12-7-14(21(25,26)27)32(10-20(22,23)24)18(33)16(12)31(17)4;1-4-29(27,28)15-7-13(18(2,3)11-23)9-24-17(15)14-10-26-6-5-12(19(20,21)22)8-16(26)25-14;1-4-30(26,27)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(6-14(25)24-12)31(28,29)17(19)20;1-4-29(26,27)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(28-17(19)20)6-14(25)24-12/h6,9-11,14H,5,7-8H2,1-4H3;8-11H,6-7H2,1-5H3;6-8H,5,10H2,1-4H3;6-8H,5,10H2,1-4H3;5-10H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3.
What are the key properties of 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile?
2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile has a molecular weight of 3341.40 g/mol, XLogP of 27.74, 36 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfanyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfonyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[4-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-ethylsulfonylphenyl]-2-methylpropanenitrile;2-[5-ethylsulfanyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[3-methyl-4-oxo-5-(2,2,2-trifluoroethyl)-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile;2-[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 160748747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).