5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide

C26H34F3N5O5S — CID 146286519

IUPAC5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC
InChIInChI=1S/C26H34F3N5O5S/c1-6-20-33-21(23(35)32-15-25(36)9-7-17(8-10-25)40(5,37)38)18(13-30)34(20)22-19(39-4)11-16(14-31-22)12-24(2,3)26(27,28)29/h11,14,17,36H,6-10,12,15H2,1-5H3,(H,32,35)
InChIKeyQBXOIUJROXTRFT-UHFFFAOYSA-N
MW585.65 g/mol
LogP3.29
Rot. Bonds9

About 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide

5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 146286519) has the molecular formula C26H34F3N5O5S and a molecular weight of 585.65 g/mol. Its IUPAC name is 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID146286519
Molecular FormulaC26H34F3N5O5S
Molecular Weight585.65 g/mol
Exact Mass585.22
IUPAC Name5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC
InChIInChI=1S/C26H34F3N5O5S/c1-6-20-33-21(23(35)32-15-25(36)9-7-17(8-10-25)40(5,37)38)18(13-30)34(20)22-19(39-4)11-16(14-31-22)12-24(2,3)26(27,28)29/h11,14,17,36H,6-10,12,15H2,1-5H3,(H,32,35)
InChIKeyQBXOIUJROXTRFT-UHFFFAOYSA-N
XLogP3.29
TPSA147.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.65
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide with MolForge

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Related Compounds

US11345666, Example 27
CID 165112388
US11345666, Example 58
CID 146286483
US11345666, Example 132
CID 146286484
US11345666, Example 54
CID 146286485
US11345666, Example 59
CID 146286490
US11345666, Example 60
CID 146286492
US11345666, Example 133
CID 146286493
US11345666, Example 119
CID 146286506
US11345666, Example 122
CID 146286508
US11345666, Example 121
CID 146286509
US11345666, Example 120
CID 146286513
US11345666, Example 24
CID 146286515

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide (CID 146286519) is 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC.
What is the InChIKey of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is QBXOIUJROXTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O5S/c1-6-20-33-21(23(35)32-15-25(36)9-7-17(8-10-25)40(5,37)38)18(13-30)34(20)22-19(39-4)11-16(14-31-22)12-24(2,3)26(27,28)29/h11,14,17,36H,6-10,12,15H2,1-5H3,(H,32,35).
What are the key properties of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide?
5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 585.65 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).