5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide

C24H27ClF8N4O6S — CID 146286704

IUPAC5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide
SMILESCCc1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H27ClF8N4O6S/c1-3-16-36-17(20(39)35-10-22(40)5-4-12(8-15(22)38)44(2,41)42)18(25)37(16)19-13(43-21(26)27)6-11(9-34-19)7-14(23(28,29)30)24(31,32)33/h6,9,12,14-15,21,38,40H,3-5,7-8,10H2,1-2H3,(H,35,39)/t12-,15-,22-/m0/s1
InChIKeyGYPMIUDGQFFMFB-LAKHIVPPSA-N
MW687.01 g/mol
LogP3.79
Rot. Bonds10

About 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide

5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide (PubChem CID 146286704) has the molecular formula C24H27ClF8N4O6S and a molecular weight of 687.01 g/mol. Its IUPAC name is 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide
PubChem CID146286704
Molecular FormulaC24H27ClF8N4O6S
Molecular Weight687.01 g/mol
Exact Mass686.12
IUPAC Name5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide
SMILESCCc1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H27ClF8N4O6S/c1-3-16-36-17(20(39)35-10-22(40)5-4-12(8-15(22)38)44(2,41)42)18(25)37(16)19-13(43-21(26)27)6-11(9-34-19)7-14(23(28,29)30)24(31,32)33/h6,9,12,14-15,21,38,40H,3-5,7-8,10H2,1-2H3,(H,35,39)/t12-,15-,22-/m0/s1
InChIKeyGYPMIUDGQFFMFB-LAKHIVPPSA-N
XLogP3.79
TPSA143.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500687.01
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide with MolForge

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Related Compounds

5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2-methylpropyl)-2-pyridinyl]-2-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylsulfonylcyclohexyl]methyl]imidazole-4-carboxamide
CID 167578458
1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide
CID 146286742
4-chloro-5-[2-(difluoromethoxy)-4-[(2R)-3,3,3-trifluoro-2-methylpropyl]phenyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide
CID 146287600
5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286493
5-chloro-1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide
CID 153296305
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[[(1R,2R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide
CID 146287555
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-N-[(1,2-dihydroxy-4-methylsulfonylcyclohexyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 146287494
1-[5-butyl-3-(difluoromethoxy)-2-pyridinyl]-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]imidazole-4-carboxamide;1-[5-butyl-3-(difluoromethoxy)-2-pyridinyl]-5-chloro-2-ethyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-1-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]imidazole-4-carboxamide;1-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide;1-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-carboxamide;pentakis(sulfur dioxide)
CID 159892869
2-(5-chloro-2-ethyl-4-methylimidazol-1-yl)-3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 167670457
ethyl 1-[3-(difluoromethoxy)-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxylate
CID 146286644
5-chloro-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-cyano-N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethylimidazole-4-carboxamide;N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxamide;1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-2-methylimidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 167575197
4-chloro-5-[2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-N-[(1,2-dihydroxy-4-methylsulfonylcyclohexyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 146285928

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide (CID 146286704) is 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide is CCc1nc(C(=O)NC[C@@]2(O)CC[C@H](S(C)(=O)=O)C[C@@H]2O)c(Cl)n1-c1ncc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
The InChIKey is GYPMIUDGQFFMFB-LAKHIVPPSA-N. The full InChI is InChI=1S/C24H27ClF8N4O6S/c1-3-16-36-17(20(39)35-10-22(40)5-4-12(8-15(22)38)44(2,41)42)18(25)37(16)19-13(43-21(26)27)6-11(9-34-19)7-14(23(28,29)30)24(31,32)33/h6,9,12,14-15,21,38,40H,3-5,7-8,10H2,1-2H3,(H,35,39)/t12-,15-,22-/m0/s1.
What are the key properties of 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide has a molecular weight of 687.01 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-(difluoromethoxy)-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-2-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide is sourced from PubChem (CID 146286704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).