[3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone

C21H19F2N3O2 — CID 59840754

IUPAC[3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2F)C1C
InChIInChI=1S/C21H19F2N3O2/c1-13-18-12-24-20(15-8-7-14(22)11-17(15)23)26(18)10-9-25(13)21(27)16-5-3-4-6-19(16)28-2/h3-8,11-13H,9-10H2,1-2H3
InChIKeyXIFVJAAMNLEINR-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.05
Rot. Bonds3

About [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone

[3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone (PubChem CID 59840754) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone
PubChem CID59840754
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name[3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2F)C1C
InChIInChI=1S/C21H19F2N3O2/c1-13-18-12-24-20(15-8-7-14(22)11-17(15)23)26(18)10-9-25(13)21(27)16-5-3-4-6-19(16)28-2/h3-8,11-13H,9-10H2,1-2H3
InChIKeyXIFVJAAMNLEINR-UHFFFAOYSA-N
XLogP4.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone (CID 59840754) is [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCn2c(cnc2-c2ccc(F)cc2F)C1C.
What is the InChIKey of [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone?
The InChIKey is XIFVJAAMNLEINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-13-18-12-24-20(15-8-7-14(22)11-17(15)23)26(18)10-9-25(13)21(27)16-5-3-4-6-19(16)28-2/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone?
[3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone has a molecular weight of 383.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 59840754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).