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

C21H18F3N3O2 — CID 59840751

IUPAC(2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H18F3N3O2/c1-29-18-9-5-3-7-16(18)20(28)26-10-11-27-14(13-26)12-25-19(27)15-6-2-4-8-17(15)21(22,23)24/h2-9,12H,10-11,13H2,1H3
InChIKeySPEGLPYLUUOKOB-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.23
Rot. Bonds3

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

(2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 59840751) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID59840751
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name(2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H18F3N3O2/c1-29-18-9-5-3-7-16(18)20(28)26-10-11-27-14(13-26)12-25-19(27)15-6-2-4-8-17(15)21(22,23)24/h2-9,12H,10-11,13H2,1H3
InChIKeySPEGLPYLUUOKOB-UHFFFAOYSA-N
XLogP4.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 59840751) is (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is COc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is SPEGLPYLUUOKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-29-18-9-5-3-7-16(18)20(28)26-10-11-27-14(13-26)12-25-19(27)15-6-2-4-8-17(15)21(22,23)24/h2-9,12H,10-11,13H2,1H3.
What are the key properties of (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 401.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 59840751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).