N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide

C18H24N4O2 — CID 121346738

IUPACN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide
SMILESCc1cccn2c(C3(NC(=O)C4CNCCOC4)CCC3)ncc12
InChIInChI=1S/C18H24N4O2/c1-13-4-2-8-22-15(13)11-20-17(22)18(5-3-6-18)21-16(23)14-10-19-7-9-24-12-14/h2,4,8,11,14,19H,3,5-7,9-10,12H2,1H3,(H,21,23)
InChIKeyDQXCIPUFUZDRQJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.37
Rot. Bonds3

About N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide

N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide (PubChem CID 121346738) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide.

Molecular Properties

Compound NameN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide
PubChem CID121346738
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide
SMILESCc1cccn2c(C3(NC(=O)C4CNCCOC4)CCC3)ncc12
InChIInChI=1S/C18H24N4O2/c1-13-4-2-8-22-15(13)11-20-17(22)18(5-3-6-18)21-16(23)14-10-19-7-9-24-12-14/h2,4,8,11,14,19H,3,5-7,9-10,12H2,1H3,(H,21,23)
InChIKeyDQXCIPUFUZDRQJ-UHFFFAOYSA-N
XLogP1.37
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide?
The IUPAC name of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide (CID 121346738) is N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide.
What is the SMILES notation for N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide?
The canonical SMILES for N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide is Cc1cccn2c(C3(NC(=O)C4CNCCOC4)CCC3)ncc12.
What is the InChIKey of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide?
The InChIKey is DQXCIPUFUZDRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-4-2-8-22-15(13)11-20-17(22)18(5-3-6-18)21-16(23)14-10-19-7-9-24-12-14/h2,4,8,11,14,19H,3,5-7,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide?
N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-1,4-oxazepane-6-carboxamide is sourced from PubChem (CID 121346738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).