[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone

C23H23N5O — CID 97447183

IUPAC[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2nc(C(=O)N3CCCC3)c3ccccn23)cn1Cc1ccccc1
InChIInChI=1S/C23H23N5O/c1-17-24-19(16-27(17)15-18-9-3-2-4-10-18)22-25-21(20-11-5-6-14-28(20)22)23(29)26-12-7-8-13-26/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3
InChIKeyCYGVEENFNDAKSX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.79
Rot. Bonds4

About [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone

[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97447183) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID97447183
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2nc(C(=O)N3CCCC3)c3ccccn23)cn1Cc1ccccc1
InChIInChI=1S/C23H23N5O/c1-17-24-19(16-27(17)15-18-9-3-2-4-10-18)22-25-21(20-11-5-6-14-28(20)22)23(29)26-12-7-8-13-26/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3
InChIKeyCYGVEENFNDAKSX-UHFFFAOYSA-N
XLogP3.79
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97447182
(4-methyl-1,4-diazepan-1-yl)-[3-[2-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155838356
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-methoxyethyl)-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 97447180
3-(1-benzyl-2-methylimidazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 97447191
3-(1-benzyl-2-methylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 97447189
[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 97447020
N-benzyl-N-methyl-1-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068377
N-benzyl-N-propan-2-yl-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067946
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 97447078
[3-(1-cyclopentylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 97447152

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone (CID 97447183) is [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone is Cc1nc(-c2nc(C(=O)N3CCCC3)c3ccccn23)cn1Cc1ccccc1.
What is the InChIKey of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CYGVEENFNDAKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-24-19(16-27(17)15-18-9-3-2-4-10-18)22-25-21(20-11-5-6-14-28(20)22)23(29)26-12-7-8-13-26/h2-6,9-11,14,16H,7-8,12-13,15H2,1H3.
What are the key properties of [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone?
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 385.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97447183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).