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

C24H30ClF5N4O5S — CID 167578458

IUPAC5-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
SMILESCCc1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)n1-c1ncc(CC(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H30ClF5N4O5S/c1-4-18-33-19(22(36)32-11-14-5-6-15(9-16(14)35)40(3,37)38)20(25)34(18)21-17(39-23(26)27)8-13(10-31-21)7-12(2)24(28,29)30/h8,10,12,14-16,23,35H,4-7,9,11H2,1-3H3,(H,32,36)/t12?,14-,15+,16+/m0/s1
InChIKeyXBZFADBCLCPJRU-YPTPCZDSSA-N
MW617.04 g/mol
LogP4.13
Rot. Bonds10

About 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

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 (PubChem CID 167578458) has the molecular formula C24H30ClF5N4O5S and a molecular weight of 617.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID167578458
Molecular FormulaC24H30ClF5N4O5S
Molecular Weight617.04 g/mol
Exact Mass616.15
IUPAC Name5-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
SMILESCCc1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)n1-c1ncc(CC(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C24H30ClF5N4O5S/c1-4-18-33-19(22(36)32-11-14-5-6-15(9-16(14)35)40(3,37)38)20(25)34(18)21-17(39-23(26)27)8-13(10-31-21)7-12(2)24(28,29)30/h8,10,12,14-16,23,35H,4-7,9,11H2,1-3H3,(H,32,36)/t12?,14-,15+,16+/m0/s1
InChIKeyXBZFADBCLCPJRU-YPTPCZDSSA-N
XLogP4.13
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.04
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[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
1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide
CID 146286742
5-chloro-2-ethyl-1-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)cyclohexa-1,3-dien-1-yl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286730
3-(difluoromethoxy)-2-(2-ethyl-5-methylimidazol-1-yl)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine
CID 159762106
2-(4-tert-butyl-2-ethyl-5-methylimidazol-1-yl)-3-(difluoromethoxy)-5-(3,3,3-trifluoro-2-methylpropyl)pyridine;carbon dioxide
CID 159094098
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
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc(C(=O)NC[C@@H]2CC[C@@H](S(C)(=O)=O)C[C@H]2O)c(Cl)n1-c1ncc(CC(C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 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?
The InChIKey is XBZFADBCLCPJRU-YPTPCZDSSA-N. The full InChI is InChI=1S/C24H30ClF5N4O5S/c1-4-18-33-19(22(36)32-11-14-5-6-15(9-16(14)35)40(3,37)38)20(25)34(18)21-17(39-23(26)27)8-13(10-31-21)7-12(2)24(28,29)30/h8,10,12,14-16,23,35H,4-7,9,11H2,1-3H3,(H,32,36)/t12?,14-,15+,16+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 617.04 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167578458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).