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

C12H13N3O2 — CID 63106394

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 Name1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
PubChem CID63106394
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(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
XLogP0.08
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 112736827
2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
CID 146126092
2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39299976
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 119644297
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751
1-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146565
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 71872087
1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 97216063
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 100720151
2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 33114380

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).