1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone

C14H17N3O2 — CID 143721806

IUPAC1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(CN2CCC(O)C2)n2ccccc12
InChIInChI=1S/C14H17N3O2/c1-10(18)14-12-4-2-3-6-17(12)13(15-14)9-16-7-5-11(19)8-16/h2-4,6,11,19H,5,7-9H2,1H3
InChIKeyYCOWYZQXQHOCKU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.10
Rot. Bonds3

About 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone

1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone (PubChem CID 143721806) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone
PubChem CID143721806
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone
SMILESCC(=O)c1nc(CN2CCC(O)C2)n2ccccc12
InChIInChI=1S/C14H17N3O2/c1-10(18)14-12-4-2-3-6-17(12)13(15-14)9-16-7-5-11(19)8-16/h2-4,6,11,19H,5,7-9H2,1H3
InChIKeyYCOWYZQXQHOCKU-UHFFFAOYSA-N
XLogP1.10
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-isoquinolin-5-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 70943971
3-[(3-hydroxypyrrolidin-1-yl)methyl]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 70943964
N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56862917
3-(3-oxobutyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984046
5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56880789
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56863269
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717
3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
CID 86617457
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
(3R)-1-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 131002661
3-(2-chloroethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984026
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone?
The IUPAC name of 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone (CID 143721806) is 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone is CC(=O)c1nc(CN2CCC(O)C2)n2ccccc12.
What is the InChIKey of 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone?
The InChIKey is YCOWYZQXQHOCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(18)14-12-4-2-3-6-17(12)13(15-14)9-16-7-5-11(19)8-16/h2-4,6,11,19H,5,7-9H2,1H3.
What are the key properties of 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone?
1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-hydroxypyrrolidin-1-yl)methyl]imidazo[1,5-a]pyridin-1-yl]ethanone is sourced from PubChem (CID 143721806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).