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

C20H22FN3O3 — CID 122652291

IUPAC7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCOC1(c2ncc3c(=O)n(Cc4cccc(F)c4)c(C)cn23)CCOCC1
InChIInChI=1S/C20H22FN3O3/c1-14-12-24-17(11-22-19(24)20(26-2)6-8-27-9-7-20)18(25)23(14)13-15-4-3-5-16(21)10-15/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyZCVGFCXGAGKYHH-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.64
Rot. Bonds4

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

7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one (PubChem CID 122652291) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
PubChem CID122652291
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCOC1(c2ncc3c(=O)n(Cc4cccc(F)c4)c(C)cn23)CCOCC1
InChIInChI=1S/C20H22FN3O3/c1-14-12-24-17(11-22-19(24)20(26-2)6-8-27-9-7-20)18(25)23(14)13-15-4-3-5-16(21)10-15/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyZCVGFCXGAGKYHH-UHFFFAOYSA-N
XLogP2.64
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one (CID 122652291) is 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one is COC1(c2ncc3c(=O)n(Cc4cccc(F)c4)c(C)cn23)CCOCC1.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is ZCVGFCXGAGKYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-14-12-24-17(11-22-19(24)20(26-2)6-8-27-9-7-20)18(25)23(14)13-15-4-3-5-16(21)10-15/h3-5,10-12H,6-9,13H2,1-2H3.
What are the key properties of 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 371.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-3-(4-methoxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).