3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide

C21H19FN4O2 — CID 87746892

IUPAC3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CN(Cc2ccc(F)cc2)c2cnccc21
InChIInChI=1S/C21H19FN4O2/c22-18-8-6-16(7-9-18)13-25-15-26(19-10-11-23-12-20(19)25)21(27)24-28-14-17-4-2-1-3-5-17/h1-12H,13-15H2,(H,24,27)
InChIKeyUVPJCDCZTIZFHF-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.85
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide

3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide (PubChem CID 87746892) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide
PubChem CID87746892
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide
SMILESO=C(NOCc1ccccc1)N1CN(Cc2ccc(F)cc2)c2cnccc21
InChIInChI=1S/C21H19FN4O2/c22-18-8-6-16(7-9-18)13-25-15-26(19-10-11-23-12-20(19)25)21(27)24-28-14-17-4-2-1-3-5-17/h1-12H,13-15H2,(H,24,27)
InChIKeyUVPJCDCZTIZFHF-UHFFFAOYSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide (CID 87746892) is 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide is O=C(NOCc1ccccc1)N1CN(Cc2ccc(F)cc2)c2cnccc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide?
The InChIKey is UVPJCDCZTIZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-18-8-6-16(7-9-18)13-25-15-26(19-10-11-23-12-20(19)25)21(27)24-28-14-17-4-2-1-3-5-17/h1-12H,13-15H2,(H,24,27).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide?
3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-phenylmethoxy-2H-imidazo[4,5-c]pyridine-1-carboxamide is sourced from PubChem (CID 87746892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).