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

C26H34F3N5O5S — CID 159980949

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

5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide (PubChem CID 159980949) 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-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide.

Molecular Properties

• Compound Name: 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide
• PubChem CID: 159980949
• Molecular Formula: C26H34F3N5O5S
• Molecular Weight: 585.65 g/mol
• Exact Mass: 585.22
• IUPAC Name: 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide
• SMILES: CCc1nc(C(=O)NCC2(O)CCC(C)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC.O=S=O
• InChI: InChI=1S/C26H34F3N5O3.O2S/c1-6-20-33-21(23(35)32-15-25(36)9-7-16(2)8-10-25)18(13-30)34(20)22-19(37-5)11-17(14-31-22)12-24(3,4)26(27,28)29;1-3-2/h11,14,16,36H,6-10,12,15H2,1-5H3,(H,32,35)
• InChIKey: OFTLLDKNQZDIDK-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 147.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.65
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide?

The IUPAC name of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide (CID 159980949) is 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide.

What is the SMILES notation for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide?

The canonical SMILES for 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide is CCc1nc(C(=O)NCC2(O)CCC(C)CC2)c(C#N)n1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC.O=S=O.

What is the InChIKey of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide?

The InChIKey is OFTLLDKNQZDIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N5O3.O2S/c1-6-20-33-21(23(35)32-15-25(36)9-7-16(2)8-10-25)18(13-30)34(20)22-19(37-5)11-17(14-31-22)12-24(3,4)26(27,28)29;1-3-2/h11,14,16,36H,6-10,12,15H2,1-5H3,(H,32,35);.

What are the key properties of 5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide?

5-cyano-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide has a molecular weight of 585.65 g/mol, XLogP of 3.84, 8 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-methylcyclohexyl)methyl]-1-[3-methoxy-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-2-pyridinyl]imidazole-4-carboxamide;sulfur dioxide is sourced from PubChem (CID 159980949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).