[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

C16H21N3O2 — CID 116636500

IUPAC[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCCCCC3CO)cn12
InChIInChI=1S/C16H21N3O2/c1-12-6-5-8-15-17-14(10-19(12)15)16(21)18-9-4-2-3-7-13(18)11-20/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3
InChIKeyRMRQWIINSZNJRA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds2

About [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 116636500) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID116636500
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1cccc2nc(C(=O)N3CCCCCC3CO)cn12
InChIInChI=1S/C16H21N3O2/c1-12-6-5-8-15-17-14(10-19(12)15)16(21)18-9-4-2-3-7-13(18)11-20/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3
InChIKeyRMRQWIINSZNJRA-UHFFFAOYSA-N
XLogP2.02
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 116636500) is [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1cccc2nc(C(=O)N3CCCCCC3CO)cn12.
What is the InChIKey of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is RMRQWIINSZNJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-6-5-8-15-17-14(10-19(12)15)16(21)18-9-4-2-3-7-13(18)11-20/h5-6,8,10,13,20H,2-4,7,9,11H2,1H3.
What are the key properties of [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 116636500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).