7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C19H20FN3O2 — CID 122652282

IUPAC7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-11-23-17(10-21-18(23)15-6-8-25-9-7-15)19(24)22(13)12-14-2-4-16(20)5-3-14/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyHTAKTLWSUKQRRS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.89
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652282) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652282
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-11-23-17(10-21-18(23)15-6-8-25-9-7-15)19(24)22(13)12-14-2-4-16(20)5-3-14/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyHTAKTLWSUKQRRS-UHFFFAOYSA-N
XLogP2.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652282) is 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is HTAKTLWSUKQRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-11-23-17(10-21-18(23)15-6-8-25-9-7-15)19(24)22(13)12-14-2-4-16(20)5-3-14/h2-5,10-11,15H,6-9,12H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 341.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).