7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one

C18H18FN3O2 — CID 122652353

IUPAC7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-12-9-22-16(8-20-17(22)14-5-6-24-11-14)18(23)21(12)10-13-3-2-4-15(19)7-13/h2-4,7-9,14H,5-6,10-11H2,1H3
InChIKeyLEYPTBGWIKQYRW-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.50
Rot. Bonds3

About 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one

7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652353) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652353
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-12-9-22-16(8-20-17(22)14-5-6-24-11-14)18(23)21(12)10-13-3-2-4-15(19)7-13/h2-4,7-9,14H,5-6,10-11H2,1H3
InChIKeyLEYPTBGWIKQYRW-UHFFFAOYSA-N
XLogP2.50
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652353) is 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOC3)ncc2c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is LEYPTBGWIKQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-9-22-16(8-20-17(22)14-5-6-24-11-14)18(23)21(12)10-13-3-2-4-15(19)7-13/h2-4,7-9,14H,5-6,10-11H2,1H3.
What are the key properties of 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one?
7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 327.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-6-methyl-3-(oxolan-3-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).