7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C20H21F2N3O3 — CID 122652417

IUPAC7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21F2N3O3/c1-13-11-25-17(10-23-18(25)15-6-8-27-9-7-15)19(26)24(13)12-14-2-4-16(5-3-14)28-20(21)22/h2-5,10-11,15,20H,6-9,12H2,1H3
InChIKeyQPWYRFGVZKZRGE-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.35
Rot. Bonds5

About 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652417) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652417
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H21F2N3O3/c1-13-11-25-17(10-23-18(25)15-6-8-27-9-7-15)19(26)24(13)12-14-2-4-16(5-3-14)28-20(21)22/h2-5,10-11,15,20H,6-9,12H2,1H3
InChIKeyQPWYRFGVZKZRGE-UHFFFAOYSA-N
XLogP3.35
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 155883051
8-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 76325371
1-Benzyl-3-[(4-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 11047906
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid 4-methoxy-benzylamide
CID 1073190
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935300
N-[(4-methoxyphenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935516
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide
CID 56836330
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 70984069
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 71761821
7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118403551
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-N-(4-methoxybenzyl)acetamide
CID 1090694
7-(4-methoxybenzyl)-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
CID 3826770

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652417) is 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is QPWYRFGVZKZRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-13-11-25-17(10-23-18(25)15-6-8-27-9-7-15)19(26)24(13)12-14-2-4-16(5-3-14)28-20(21)22/h2-5,10-11,15,20H,6-9,12H2,1H3.
What are the key properties of 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 389.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(difluoromethoxy)phenyl]methyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).