azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

C19H28N4O2 — CID 109074257

IUPACazepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(C(=O)N2CCCC2)n2c1CCCC2)N1CCCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(21-10-4-1-2-5-11-21)16-15-9-3-6-14-23(15)17(20-16)19(25)22-12-7-8-13-22/h1-14H2
InChIKeyQMBYMDMXYBYCNP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.47
Rot. Bonds2

About azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone

azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 109074257) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID109074257
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nameazepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(C(=O)N2CCCC2)n2c1CCCC2)N1CCCCCC1
InChIInChI=1S/C19H28N4O2/c24-18(21-10-4-1-2-5-11-21)16-15-9-3-6-14-23(15)17(20-16)19(25)22-12-7-8-13-22/h1-14H2
InChIKeyQMBYMDMXYBYCNP-UHFFFAOYSA-N
XLogP2.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109074615
[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109074521
morpholin-4-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074208
[3-(azepane-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 109074845
(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
(4-ethylpiperazin-1-yl)-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074214
1-(piperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072568
1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075111
3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077149
N-benzyl-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074526

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone (CID 109074257) is azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is O=C(c1nc(C(=O)N2CCCC2)n2c1CCCC2)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is QMBYMDMXYBYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(21-10-4-1-2-5-11-21)16-15-9-3-6-14-23(15)17(20-16)19(25)22-12-7-8-13-22/h1-14H2.
What are the key properties of azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone?
azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 109074257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).