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

C22H20F3N3O2 — CID 59840762

IUPAC(2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C(F)(F)F)C1C
InChIInChI=1S/C22H20F3N3O2/c1-14-18-13-26-20(15-7-3-5-9-17(15)22(23,24)25)28(18)12-11-27(14)21(29)16-8-4-6-10-19(16)30-2/h3-10,13-14H,11-12H2,1-2H3
InChIKeyKVOSWYVYNDOCFL-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.79
Rot. Bonds3

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

(2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 59840762) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID59840762
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name(2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCn2c(cnc2-c2ccccc2C(F)(F)F)C1C
InChIInChI=1S/C22H20F3N3O2/c1-14-18-13-26-20(15-7-3-5-9-17(15)22(23,24)25)28(18)12-11-27(14)21(29)16-8-4-6-10-19(16)30-2/h3-10,13-14H,11-12H2,1-2H3
InChIKeyKVOSWYVYNDOCFL-UHFFFAOYSA-N
XLogP4.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 59840762) is (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[8-methyl-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)C1C.
What is the InChIKey of (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is KVOSWYVYNDOCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-14-18-13-26-20(15-7-3-5-9-17(15)22(23,24)25)28(18)12-11-27(14)21(29)16-8-4-6-10-19(16)30-2/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 415.42 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[8-methyl-3-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 59840762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).