1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone

Name: 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₃N₃O₂ — CID 63106394

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone

SMILESO=C(Cc1cn2ccccc2n1)N1CC(O)C1

InChIInChI=1S/C12H13N3O2/c16-10-7-15(8-10)12(17)5-9-6-14-4-2-1-3-11(14)13-9/h1-4,6,10,16H,5,7-8H2

InChIKeyNVJJUVPKXBMRKO-UHFFFAOYSA-N

MW231.25 g/mol

LogP0.08

Rot. Bonds2

About 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone

1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone (PubChem CID 63106394) has the molecular formula C₁₂H₁₃N₃O₂ and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone.

Molecular Properties

Compound Name	1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
PubChem CID	63106394
Molecular Formula	C₁₂H₁₃N₃O₂
Molecular Weight	231.25 g/mol
Exact Mass	231.10
IUPAC Name	1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILES	O=C(Cc1cn2ccccc2n1)N1CC(O)C1
InChI	InChI=1S/C12H13N3O2/c16-10-7-15(8-10)12(17)5-9-6-14-4-2-1-3-11(14)13-9/h1-4,6,10,16H,5,7-8H2
InChIKey	NVJJUVPKXBMRKO-UHFFFAOYSA-N
XLogP	0.08
TPSA	57.84 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.25
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone?

The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone (CID 63106394) is 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone.

What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone?

The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone is O=C(Cc1cn2ccccc2n1)N1CC(O)C1.

What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone?

The InChIKey is NVJJUVPKXBMRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-7-15(8-10)12(17)5-9-6-14-4-2-1-3-11(14)13-9/h1-4,6,10,16H,5,7-8H2.

What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone?

1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone has a molecular weight of 231.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone is sourced from PubChem (CID 63106394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63106394 — identifiers, structure, computed properties (public domain)

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