4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide

C22H22F3N5O6S — CID 91511444

About 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide

4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 91511444) has the molecular formula C22H22F3N5O6S and a molecular weight of 541.51 g/mol. Its IUPAC name is 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide
• PubChem CID: 91511444
• Molecular Formula: C22H22F3N5O6S
• Molecular Weight: 541.51 g/mol
• Exact Mass: 541.12
• IUPAC Name: 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide
• SMILES: Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc(C(=O)NN2CCOCC2)c1
• InChI: InChI=1S/C22H22F3N5O6S/c1-14-20(32)30(16-2-4-17(5-3-16)37(34,35)22(23,24)25)21(33)29(14)13-15-6-7-26-18(12-15)19(31)27-28-8-10-36-11-9-28/h2-7,12,32H,8-11,13H2,1H3,(H,27,31)
• InChIKey: KCJPODJWRUFNAF-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 135.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.51
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide?

The IUPAC name of 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide (CID 91511444) is 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide.

What is the SMILES notation for 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide?

The canonical SMILES for 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide is Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc(C(=O)NN2CCOCC2)c1.

What is the InChIKey of 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide?

The InChIKey is KCJPODJWRUFNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O6S/c1-14-20(32)30(16-2-4-17(5-3-16)37(34,35)22(23,24)25)21(33)29(14)13-15-6-7-26-18(12-15)19(31)27-28-8-10-36-11-9-28/h2-7,12,32H,8-11,13H2,1H3,(H,27,31).

What are the key properties of 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide?

4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 541.51 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-N-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 91511444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).