N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide

C22H17ClFN3O — CID 134792081

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C22H17ClFN3O/c23-17-8-4-15(5-9-17)12-13-25-22(28)21-26-20(16-6-10-18(24)11-7-16)19-3-1-2-14-27(19)21/h1-11,14H,12-13H2,(H,25,28)
InChIKeyWUIDITZGVJREJK-UHFFFAOYSA-N
MW393.85 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 134792081) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID134792081
Molecular FormulaC22H17ClFN3O
Molecular Weight393.85 g/mol
Exact Mass393.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C22H17ClFN3O/c23-17-8-4-15(5-9-17)12-13-25-22(28)21-26-20(16-6-10-18(24)11-7-16)19-3-1-2-14-27(19)21/h1-11,14H,12-13H2,(H,25,28)
InChIKeyWUIDITZGVJREJK-UHFFFAOYSA-N
XLogP4.77
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 134792081) is N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)c2ccccn12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WUIDITZGVJREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c23-17-8-4-15(5-9-17)12-13-25-22(28)21-26-20(16-6-10-18(24)11-7-16)19-3-1-2-14-27(19)21/h1-11,14H,12-13H2,(H,25,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 393.85 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134792081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).