3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one

C17H15F2N3O — CID 122652326

IUPAC3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CC3F)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C17H15F2N3O/c1-10-8-22-15(7-20-16(22)13-6-14(13)19)17(23)21(10)9-11-3-2-4-12(18)5-11/h2-5,7-8,13-14H,6,9H2,1H3
InChIKeyMVVQNOPLTGEXNR-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.82
Rot. Bonds3

About 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one

3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one (PubChem CID 122652326) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
PubChem CID122652326
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CC3F)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C17H15F2N3O/c1-10-8-22-15(7-20-16(22)13-6-14(13)19)17(23)21(10)9-11-3-2-4-12(18)5-11/h2-5,7-8,13-14H,6,9H2,1H3
InChIKeyMVVQNOPLTGEXNR-UHFFFAOYSA-N
XLogP2.82
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
CID 122652241
5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136075
3-[(3-fluorophenyl)methyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637788
1-[(3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073345
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631230
11-[(3-fluorophenyl)methyl]-7-[(4-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one
CID 166473103
[3-bromo-1-[(3-fluorophenyl)methyl]-6-methyl-2-oxo-4-pyridinyl] trifluoromethanesulfonate
CID 21035314
3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 102567348
3-(1-fluoroethyl)-7-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 121273162
[1-[(3-fluorophenyl)methyl]-5-methylbenzimidazol-2-yl]methanethiol
CID 82333392

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one (CID 122652326) is 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CC3F)ncc2c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is MVVQNOPLTGEXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-10-8-22-15(7-20-16(22)13-6-14(13)19)17(23)21(10)9-11-3-2-4-12(18)5-11/h2-5,7-8,13-14H,6,9H2,1H3.
What are the key properties of 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 315.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).