(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone

C22H23N7O — CID 97447078

IUPAC(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone
SMILESCN1CCCN(C(=O)c2nc(-c3cn(-c4ccccn4)cn3)n3ccccc23)CC1
InChIInChI=1S/C22H23N7O/c1-26-10-6-11-27(14-13-26)22(30)20-18-7-3-5-12-29(18)21(25-20)17-15-28(16-24-17)19-8-2-4-9-23-19/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3
InChIKeySOZZEAANYJXBPT-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.36
Rot. Bonds3

About (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone

(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 97447078) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID97447078
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone
SMILESCN1CCCN(C(=O)c2nc(-c3cn(-c4ccccn4)cn3)n3ccccc23)CC1
InChIInChI=1S/C22H23N7O/c1-26-10-6-11-27(14-13-26)22(30)20-18-7-3-5-12-29(18)21(25-20)17-15-28(16-24-17)19-8-2-4-9-23-19/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3
InChIKeySOZZEAANYJXBPT-UHFFFAOYSA-N
XLogP2.36
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-1-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]propan-1-one
CID 134690296
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97447182
[3-(1-cyclopentylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 97447152
(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-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 97447020
[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 97447146
[3-(1-benzyl-2-methylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 97447183
(4-methyl-1,4-diazepan-1-yl)-[3-(2-methyl-1-propan-2-ylimidazol-4-yl)indolizin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843445
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
N-cyclopropyl-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109066655
N-(2,5-dimethylphenyl)-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109069909

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone (CID 97447078) is (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone is CN1CCCN(C(=O)c2nc(-c3cn(-c4ccccn4)cn3)n3ccccc23)CC1.
What is the InChIKey of (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is SOZZEAANYJXBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-26-10-6-11-27(14-13-26)22(30)20-18-7-3-5-12-29(18)21(25-20)17-15-28(16-24-17)19-8-2-4-9-23-19/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3.
What are the key properties of (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone?
(4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 401.47 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazepan-1-yl)-[3-(1-pyridin-2-ylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 97447078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).