3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one

C18H20FN3O2 — CID 122652496

IUPAC3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(Cn2c(C)cn3c(C(C)(C)F)ncc3c2=O)cc1
InChIInChI=1S/C18H20FN3O2/c1-12-10-22-15(9-20-17(22)18(2,3)19)16(23)21(12)11-13-5-7-14(24-4)8-6-13/h5-10H,11H2,1-4H3
InChIKeyDKRDXFRQADAIHU-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.07
Rot. Bonds4

About 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one

3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one (PubChem CID 122652496) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
PubChem CID122652496
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCOc1ccc(Cn2c(C)cn3c(C(C)(C)F)ncc3c2=O)cc1
InChIInChI=1S/C18H20FN3O2/c1-12-10-22-15(9-20-17(22)18(2,3)19)16(23)21(12)11-13-5-7-14(24-4)8-6-13/h5-10H,11H2,1-4H3
InChIKeyDKRDXFRQADAIHU-UHFFFAOYSA-N
XLogP3.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one (CID 122652496) is 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one is COc1ccc(Cn2c(C)cn3c(C(C)(C)F)ncc3c2=O)cc1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is DKRDXFRQADAIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-10-22-15(9-20-17(22)18(2,3)19)16(23)21(12)11-13-5-7-14(24-4)8-6-13/h5-10H,11H2,1-4H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 329.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).