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

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CID 127039168
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CID 127041781
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CID 127042670
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CID 12222773
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CID 1383643
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CID 23723201
CID 23723201

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).