[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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Related Compounds

[1-(2,4-dichlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 134789556
1-(4-chlorophenyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 134790691
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
CID 10273200
[1-(6-chloro-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
CID 134787455
3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071771
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
4-[3-(2,6-dichloro-3-fluorobenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 121472971
1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 171922177
N-tert-butyl-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068496
3,4-dihydro-1H-isoquinolin-2-yl-[3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109068488
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075

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).