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

C101H96F14N22O11S6 — CID 162186618

IUPAC2-[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
SMILESCCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1cn2ccc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(S(=O)C(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.CCSc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C
InChIInChI=1S/C22H22F3N5O3S.C22H22F3N5OS.C20H18F3N3O2S.C19H17F3N4O2S.C18H17F2N5O3S2/c1-5-34(32,33)15-8-12(21(2,3)11-26)10-27-17(15)19-28-14-9-16(22(23,24)25)30(13-6-7-13)20(31)18(14)29(19)4;1-5-32-15-8-12(21(2,3)11-26)10-27-17(15)19-28-14-9-16(22(23,24)25)30(13-6-7-13)20(31)18(14)29(19)4;1-4-29(27,28)17-9-13(19(2,3)12-24)5-6-15(17)16-11-26-8-7-14(20(21,22)23)10-18(26)25-16;1-4-29(27,28)15-7-12(18(2,3)10-23)5-6-13(15)14-9-26-11-24-16(19(20,21)22)8-17(26)25-14;1-4-30(27,28)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(6-14(25)24-12)29(26)17(19)20/h8-10,13H,5-7H2,1-4H3;8-10,13H,5-7H2,1-4H3;5-11H,4H2,1-3H3;5-9,11H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3
InChIKeyZPSUDLZURNEGQM-UHFFFAOYSA-N
MW2252.40 g/mol
LogP20.15
Rot. Bonds24

About 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

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 (PubChem CID 162186618) has the molecular formula C101H96F14N22O11S6 and a molecular weight of 2252.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162186618
Molecular FormulaC101H96F14N22O11S6
Molecular Weight2252.40 g/mol
Exact Mass2250.57
IUPAC Name2-[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
SMILESCCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1cn2ccc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(S(=O)C(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.CCSc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C
InChIInChI=1S/C22H22F3N5O3S.C22H22F3N5OS.C20H18F3N3O2S.C19H17F3N4O2S.C18H17F2N5O3S2/c1-5-34(32,33)15-8-12(21(2,3)11-26)10-27-17(15)19-28-14-9-16(22(23,24)25)30(13-6-7-13)20(31)18(14)29(19)4;1-5-32-15-8-12(21(2,3)11-26)10-27-17(15)19-28-14-9-16(22(23,24)25)30(13-6-7-13)20(31)18(14)29(19)4;1-4-29(27,28)17-9-13(19(2,3)12-24)5-6-15(17)16-11-26-8-7-14(20(21,22)23)10-18(26)25-16;1-4-29(27,28)15-7-12(18(2,3)10-23)5-6-13(15)14-9-26-11-24-16(19(20,21)22)8-17(26)25-14;1-4-30(27,28)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(6-14(25)24-12)29(26)17(19)20/h8-10,13H,5-7H2,1-4H3;8-10,13H,5-7H2,1-4H3;5-11H,4H2,1-3H3;5-9,11H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3
InChIKeyZPSUDLZURNEGQM-UHFFFAOYSA-N
XLogP20.15
TPSA468.57 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002252.40
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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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
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
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
8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide
CID 167615418

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1cn2ccc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)ccc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1cn2cnc(S(=O)C(F)F)cc2n1.CCS(=O)(=O)c1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.CCSc1cc(C(C)(C)C#N)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.
What is the InChIKey of 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?
The InChIKey is ZPSUDLZURNEGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3S.C22H22F3N5OS.C20H18F3N3O2S.C19H17F3N4O2S.C18H17F2N5O3S2/c1-5-34(32,33)15-8-12(21(2,3)11-26)10-27-17(15)19-28-14-9-16(22(23,24)25)30(13-6-7-13)20(31)18(14)29(19)4;1-5-32-15-8-12(21(2,3)11-26)10-27-17(15)19-28-14-9-16(22(23,24)25)30(13-6-7-13)20(31)18(14)29(19)4;1-4-29(27,28)17-9-13(19(2,3)12-24)5-6-15(17)16-11-26-8-7-14(20(21,22)23)10-18(26)25-16;1-4-29(27,28)15-7-12(18(2,3)10-23)5-6-13(15)14-9-26-11-24-16(19(20,21)22)8-17(26)25-14;1-4-30(27,28)13-5-11(18(2,3)9-21)7-22-16(13)12-8-25-10-23-15(6-14(25)24-12)29(26)17(19)20/h8-10,13H,5-7H2,1-4H3;8-10,13H,5-7H2,1-4H3;5-11H,4H2,1-3H3;5-9,11H,4H2,1-3H3;5-8,10,17H,4H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2252.40 g/mol, XLogP of 20.15, 24 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162186618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).