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

C20H22FN3O2 — CID 122652310

IUPAC6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c1-2-17-13-24-18(11-22-19(24)15-6-8-26-9-7-15)20(25)23(17)12-14-4-3-5-16(21)10-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3
InChIKeyAFONMYZRPMFJAB-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.14
Rot. Bonds4

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

6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652310) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652310
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESCCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN3O2/c1-2-17-13-24-18(11-22-19(24)15-6-8-26-9-7-15)20(25)23(17)12-14-4-3-5-16(21)10-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3
InChIKeyAFONMYZRPMFJAB-UHFFFAOYSA-N
XLogP3.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 122652310) is 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is CCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is AFONMYZRPMFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-2-17-13-24-18(11-22-19(24)15-6-8-26-9-7-15)20(25)23(17)12-14-4-3-5-16(21)10-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3.
What are the key properties of 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 355.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-[(3-fluorophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).