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

C26H34F3N5O4S — CID 146286508

IUPAC5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC
InChIInChI=1S/C26H34F3N5O4S/c1-6-21-33-22(24(35)32-14-16-7-9-18(10-8-16)39(5,36)37)19(13-30)34(21)23-20(38-4)11-17(15-31-23)12-25(2,3)26(27,28)29/h11,15-16,18H,6-10,12,14H2,1-5H3,(H,32,35)
InChIKeyRHLFOCVYOFJUBM-UHFFFAOYSA-N
MW569.65 g/mol
LogP4.17
Rot. Bonds9

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

5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 146286508) has the molecular formula C26H34F3N5O4S and a molecular weight of 569.65 g/mol. Its IUPAC name is 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
PubChem CID146286508
Molecular FormulaC26H34F3N5O4S
Molecular Weight569.65 g/mol
Exact Mass569.23
IUPAC Name5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC
InChIInChI=1S/C26H34F3N5O4S/c1-6-21-33-22(24(35)32-14-16-7-9-18(10-8-16)39(5,36)37)19(13-30)34(21)23-20(38-4)11-17(15-31-23)12-25(2,3)26(27,28)29/h11,15-16,18H,6-10,12,14H2,1-5H3,(H,32,35)
InChIKeyRHLFOCVYOFJUBM-UHFFFAOYSA-N
XLogP4.17
TPSA126.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

US11345666, Example 27
CID 165112388
US11345666, Example 36
CID 146286479
US11345666, Example 53
CID 146286482
US11345666, Example 58
CID 146286483
US11345666, Example 59
CID 146286490
US11345666, Example 60
CID 146286492
US11345666, Example 133
CID 146286493
US11345666, Example 119
CID 146286506
US11345666, Example 121
CID 146286509
US11345666, Example 26
CID 146286512
US11345666, Example 120
CID 146286513
US11345666, Example 117
CID 146286518

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (CID 146286508) is 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2CCC(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-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The InChIKey is RHLFOCVYOFJUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O4S/c1-6-21-33-22(24(35)32-14-16-7-9-18(10-8-16)39(5,36)37)19(13-30)34(21)23-20(38-4)11-17(15-31-23)12-25(2,3)26(27,28)29/h11,15-16,18H,6-10,12,14H2,1-5H3,(H,32,35).
What are the key properties of 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 569.65 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-ethyl-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).