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

C25H32ClF5N4O6S — CID 146286492

IUPAC5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-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)(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H32ClF5N4O6S/c1-5-17-34-18(21(37)33-12-24(38)7-6-14(9-16(24)36)42(4,39)40)19(26)35(17)20-15(41-22(27)28)8-13(11-32-20)10-23(2,3)25(29,30)31/h8,11,14,16,22,36,38H,5-7,9-10,12H2,1-4H3,(H,33,37)/t14-,16-,24-/m1/s1
InChIKeyKJYAJZDJLZZLPY-ROYPQONJSA-N
MW647.06 g/mol
LogP3.63
Rot. Bonds10

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

5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide (PubChem CID 146286492) has the molecular formula C25H32ClF5N4O6S and a molecular weight of 647.06 g/mol. Its IUPAC name is 5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide
PubChem CID146286492
Molecular FormulaC25H32ClF5N4O6S
Molecular Weight647.06 g/mol
Exact Mass646.17
IUPAC Name5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-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)(C)C(F)(F)F)cc1OC(F)F
InChIInChI=1S/C25H32ClF5N4O6S/c1-5-17-34-18(21(37)33-12-24(38)7-6-14(9-16(24)36)42(4,39)40)19(26)35(17)20-15(41-22(27)28)8-13(11-32-20)10-23(2,3)25(29,30)31/h8,11,14,16,22,36,38H,5-7,9-10,12H2,1-4H3,(H,33,37)/t14-,16-,24-/m1/s1
InChIKeyKJYAJZDJLZZLPY-ROYPQONJSA-N
XLogP3.63
TPSA143.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.06
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

US11345666, Example 58
CID 146286483
US11345666, Example 59
CID 146286490
US11345666, Example 133
CID 146286493
US11345666, Example 122
CID 146286508
US11345666, Example 121
CID 146286509
US11345666, Example 120
CID 146286513
US11345666, Example 123
CID 146286519
US11345666, Example 51
CID 146286532
US11345666, Example 2
CID 146286550
US11345666, Example 69
CID 146286558
US11345666, Example 71
CID 146286559
US11345666, Example 72
CID 146286560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide (CID 146286492) is 5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-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-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-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)(C)C(F)(F)F)cc1OC(F)F.
What is the InChIKey of 5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
The InChIKey is KJYAJZDJLZZLPY-ROYPQONJSA-N. The full InChI is InChI=1S/C25H32ClF5N4O6S/c1-5-17-34-18(21(37)33-12-24(38)7-6-14(9-16(24)36)42(4,39)40)19(26)35(17)20-15(41-22(27)28)8-13(11-32-20)10-23(2,3)25(29,30)31/h8,11,14,16,22,36,38H,5-7,9-10,12H2,1-4H3,(H,33,37)/t14-,16-,24-/m1/s1.
What are the key properties of 5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide?
5-chloro-1-[3-(difluoromethoxy)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide has a molecular weight of 647.06 g/mol, XLogP of 3.63, 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-2,2-dimethylpropyl)-2-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylsulfonylcyclohexyl]methyl]-2-ethylimidazole-4-carboxamide is sourced from PubChem (CID 146286492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).