[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C18H16ClN3O — CID 134795474

IUPAC[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc(Cl)cc2)c2ccccn12)N1CCCC1
InChIInChI=1S/C18H16ClN3O/c19-14-8-6-13(7-9-14)16-15-5-1-2-12-22(15)17(20-16)18(23)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11H2
InChIKeyLUDAOJRBMDOFBA-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.89
Rot. Bonds2

About [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134795474) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID134795474
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccc(Cl)cc2)c2ccccn12)N1CCCC1
InChIInChI=1S/C18H16ClN3O/c19-14-8-6-13(7-9-14)16-15-5-1-2-12-22(15)17(20-16)18(23)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11H2
InChIKeyLUDAOJRBMDOFBA-UHFFFAOYSA-N
XLogP3.89
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 134795474) is [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc(-c2ccc(Cl)cc2)c2ccccn12)N1CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LUDAOJRBMDOFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-14-8-6-13(7-9-14)16-15-5-1-2-12-22(15)17(20-16)18(23)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11H2.
What are the key properties of [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.80 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134795474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).