5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C30H27N3O4 — CID 14403545

About 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403545) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 14403545
• Molecular Formula: C30H27N3O4
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.20
• IUPAC Name: 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: COc1ccc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C2c4ccccc4-c4ccccc42)C3)cc1C
• InChI: InChI=1S/C30H27N3O4/c1-18-13-19(11-12-27(18)37-2)15-32-17-31-24-16-33(26(30(35)36)14-25(24)32)29(34)28-22-9-5-3-7-20(22)21-8-4-6-10-23(21)28/h3-13,17,26,28H,14-16H2,1-2H3,(H,35,36)
• InChIKey: SMIQSXCXLQBBOJ-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 84.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403545) is 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C2c4ccccc4-c4ccccc42)C3)cc1C.

What is the InChIKey of 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is SMIQSXCXLQBBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c1-18-13-19(11-12-27(18)37-2)15-32-17-31-24-16-33(26(30(35)36)14-25(24)32)29(34)28-22-9-5-3-7-20(22)21-8-4-6-10-23(21)28/h3-13,17,26,28H,14-16H2,1-2H3,(H,35,36).

What are the key properties of 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 493.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9H-fluorene-9-carbonyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).