7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one

C19H20FN3O2 — CID 122652474

IUPAC7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c([C@H]3CCO[C@H]3C)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-12-10-23-17(9-21-18(23)16-6-7-25-13(16)2)19(24)22(12)11-14-4-3-5-15(20)8-14/h3-5,8-10,13,16H,6-7,11H2,1-2H3/t13-,16-/m0/s1
InChIKeyBZFPDTIGFMRZDI-BBRMVZONSA-N
MW341.39 g/mol
LogP2.88
Rot. Bonds3

About 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one

7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652474) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one
PubChem CID122652474
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c([C@H]3CCO[C@H]3C)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-12-10-23-17(9-21-18(23)16-6-7-25-13(16)2)19(24)22(12)11-14-4-3-5-15(20)8-14/h3-5,8-10,13,16H,6-7,11H2,1-2H3/t13-,16-/m0/s1
InChIKeyBZFPDTIGFMRZDI-BBRMVZONSA-N
XLogP2.88
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one (CID 122652474) is 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one is Cc1cn2c([C@H]3CCO[C@H]3C)ncc2c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is BZFPDTIGFMRZDI-BBRMVZONSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-10-23-17(9-21-18(23)16-6-7-25-13(16)2)19(24)22(12)11-14-4-3-5-15(20)8-14/h3-5,8-10,13,16H,6-7,11H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one?
7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 341.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-6-methyl-3-[(2S,3R)-2-methyloxolan-3-yl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).