[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone

C21H32N4O2 — CID 109074845

IUPAC[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nc(C(=O)N3CCCCCC3)n3c2CCCC3)CC1
InChIInChI=1S/C21H32N4O2/c1-16-9-14-24(15-10-16)20(26)18-17-8-4-7-13-25(17)19(22-18)21(27)23-11-5-2-3-6-12-23/h16H,2-15H2,1H3
InChIKeyMAODQNJMDKOQSL-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.11
Rot. Bonds2

About [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone

[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109074845) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109074845
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nc(C(=O)N3CCCCCC3)n3c2CCCC3)CC1
InChIInChI=1S/C21H32N4O2/c1-16-9-14-24(15-10-16)20(26)18-17-8-4-7-13-25(17)19(22-18)21(27)23-11-5-2-3-6-12-23/h16H,2-15H2,1H3
InChIKeyMAODQNJMDKOQSL-UHFFFAOYSA-N
XLogP3.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074603
[3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-pyrrolidin-1-ylmethanone
CID 109074080
(3-methylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074645
azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074257
1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109074615
1-(4-methylpiperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072570
[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109074521
[3-(2-ethylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 109074842
morpholin-4-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074208
N-(3-methoxypropyl)-3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074873
(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074214
N-(4-methoxyphenyl)-1-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074865

Frequently Asked Questions

What is the IUPAC name of [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone (CID 109074845) is [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2nc(C(=O)N3CCCCCC3)n3c2CCCC3)CC1.
What is the InChIKey of [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MAODQNJMDKOQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16-9-14-24(15-10-16)20(26)18-17-8-4-7-13-25(17)19(22-18)21(27)23-11-5-2-3-6-12-23/h16H,2-15H2,1H3.
What are the key properties of [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone?
[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 372.51 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109074845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).