2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide

C25H26FN5O — CID 155322797

About 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide

2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 155322797) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 155322797
• Molecular Formula: C25H26FN5O
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.21
• IUPAC Name: 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: CNC(=O)c1cc2nc([C@@H](C)C3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2cn1
• InChI: InChI=1S/C25H26FN5O/c1-14(24-30-21-12-22(25(32)27-2)29-13-23(21)31-24)15-3-5-16(6-4-15)18-9-10-28-20-8-7-17(26)11-19(18)20/h7-16H,3-6H2,1-2H3,(H,27,32)(H,30,31)/t14-,15?,16?/m0/s1
• InChIKey: DNQQYDPJSAPTAE-FHERZECASA-N
• XLogP: 5.08
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 155322797) is 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide is CNC(=O)c1cc2nc([C@@H](C)C3CCC(c4ccnc5ccc(F)cc45)CC3)[nH]c2cn1.

What is the InChIKey of 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is DNQQYDPJSAPTAE-FHERZECASA-N. The full InChI is InChI=1S/C25H26FN5O/c1-14(24-30-21-12-22(25(32)27-2)29-13-23(21)31-24)15-3-5-16(6-4-15)18-9-10-28-20-8-7-17(26)11-19(18)20/h7-16H,3-6H2,1-2H3,(H,27,32)(H,30,31)/t14-,15?,16?/m0/s1.

What are the key properties of 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide?

2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-N-methyl-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 155322797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).