azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone

C22H30N4O2 — CID 109071586

IUPACazepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
SMILESCCC1CCCCN1C(=O)c1nc(C(=O)N2CCCCCC2)c2ccccn12
InChIInChI=1S/C22H30N4O2/c1-2-17-11-5-9-15-25(17)22(28)20-23-19(18-12-6-10-16-26(18)20)21(27)24-13-7-3-4-8-14-24/h6,10,12,16-17H,2-5,7-9,11,13-15H2,1H3
InChIKeyDZIOYELQNFXPRL-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.76
Rot. Bonds3

About azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone

azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 109071586) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID109071586
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Nameazepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
SMILESCCC1CCCCN1C(=O)c1nc(C(=O)N2CCCCCC2)c2ccccn12
InChIInChI=1S/C22H30N4O2/c1-2-17-11-5-9-15-25(17)22(28)20-23-19(18-12-6-10-16-26(18)20)21(27)24-13-7-3-4-8-14-24/h6,10,12,16-17H,2-5,7-9,11,13-15H2,1H3
InChIKeyDZIOYELQNFXPRL-UHFFFAOYSA-N
XLogP3.76
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109068501
[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 109071584
N-cyclohexyl-3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068588
N-cyclopentyl-3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068202
1-(2-ethylpiperidine-1-carbonyl)-N-propan-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066389
3-(2-ethylpiperidine-1-carbonyl)-N-phenylimidazo[1,5-a]pyridine-1-carboxamide
CID 109071587
(2-ethylpiperidin-1-yl)-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 51094587
1-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070184
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
1-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070682
1-(azepane-1-carbonyl)-N-cycloheptylimidazo[1,5-a]pyridine-3-carboxamide
CID 109071234

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone (CID 109071586) is azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone is CCC1CCCCN1C(=O)c1nc(C(=O)N2CCCCCC2)c2ccccn12.
What is the InChIKey of azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is DZIOYELQNFXPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-2-17-11-5-9-15-25(17)22(28)20-23-19(18-12-6-10-16-26(18)20)21(27)24-13-7-3-4-8-14-24/h6,10,12,16-17H,2-5,7-9,11,13-15H2,1H3.
What are the key properties of azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone?
azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(2-ethylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 109071586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).