3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one

C19H19F2N3O2 — CID 122652263

IUPAC3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3(F)CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H19F2N3O2/c1-13-11-24-16(10-22-18(24)19(21)5-7-26-8-6-19)17(25)23(13)12-14-3-2-4-15(20)9-14/h2-4,9-11H,5-8,12H2,1H3
InChIKeyRQWUWJPTWQLWON-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.97
Rot. Bonds3

About 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one

3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one (PubChem CID 122652263) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
PubChem CID122652263
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3(F)CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H19F2N3O2/c1-13-11-24-16(10-22-18(24)19(21)5-7-26-8-6-19)17(25)23(13)12-14-3-2-4-15(20)9-14/h2-4,9-11H,5-8,12H2,1H3
InChIKeyRQWUWJPTWQLWON-UHFFFAOYSA-N
XLogP2.97
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one (CID 122652263) is 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3(F)CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is RQWUWJPTWQLWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-13-11-24-16(10-22-18(24)19(21)5-7-26-8-6-19)17(25)23(13)12-14-3-2-4-15(20)9-14/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one?
3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 359.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorooxan-4-yl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).