3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one

C13H10N4O2 — CID 71290993

IUPAC3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]ccn12
InChIInChI=1S/C13H10N4O2/c1-8(18)12-16-10(9-4-2-3-5-14-9)11-13(19)15-6-7-17(11)12/h2-7H,1H3,(H,15,19)
InChIKeyCFANSRWXRPQSOK-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.29
Rot. Bonds2

About 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one

3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71290993) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71290993
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]ccn12
InChIInChI=1S/C13H10N4O2/c1-8(18)12-16-10(9-4-2-3-5-14-9)11-13(19)15-6-7-17(11)12/h2-7H,1H3,(H,15,19)
InChIKeyCFANSRWXRPQSOK-UHFFFAOYSA-N
XLogP1.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one (CID 71290993) is 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one is CC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]ccn12.
What is the InChIKey of 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is CFANSRWXRPQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8(18)12-16-10(9-4-2-3-5-14-9)11-13(19)15-6-7-17(11)12/h2-7H,1H3,(H,15,19).
What are the key properties of 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one?
3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 254.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71290993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).