3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide

C20H15FN4O2 — CID 10044170

IUPAC3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NOc1ccccc1)c1cc2ncn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C20H15FN4O2/c21-15-8-6-14(7-9-15)12-25-13-23-17-10-18(22-11-19(17)25)20(26)24-27-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,24,26)
InChIKeyKDVSBMKNQNWWGY-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.34
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide

3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 10044170) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID10044170
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide
SMILESO=C(NOc1ccccc1)c1cc2ncn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C20H15FN4O2/c21-15-8-6-14(7-9-15)12-25-13-23-17-10-18(22-11-19(17)25)20(26)24-27-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,24,26)
InChIKeyKDVSBMKNQNWWGY-UHFFFAOYSA-N
XLogP3.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-phenoxyimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide (CID 10044170) is 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide is O=C(NOc1ccccc1)c1cc2ncn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is KDVSBMKNQNWWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-15-8-6-14(7-9-15)12-25-13-23-17-10-18(22-11-19(17)25)20(26)24-27-16-4-2-1-3-5-16/h1-11,13H,12H2,(H,24,26).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide?
3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-phenoxyimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 10044170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).