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

C19H20FN3O3 — CID 122652241

IUPAC7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3(O)CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c1-13-11-23-16(10-21-18(23)19(25)5-7-26-8-6-19)17(24)22(13)12-14-3-2-4-15(20)9-14/h2-4,9-11,25H,5-8,12H2,1H3
InChIKeyDHTNNFUNTVBRHL-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.99
Rot. Bonds3

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

7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one (PubChem CID 122652241) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
PubChem CID122652241
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3(O)CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c1-13-11-23-16(10-21-18(23)19(25)5-7-26-8-6-19)17(24)22(13)12-14-3-2-4-15(20)9-14/h2-4,9-11,25H,5-8,12H2,1H3
InChIKeyDHTNNFUNTVBRHL-UHFFFAOYSA-N
XLogP1.99
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-fluorocyclopropyl)-7-[(3-fluorophenyl)methyl]-6-methylimidazo[1,5-a]pyrazin-8-one
CID 122652326
1-[(3-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073345
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
4-(bromomethyl)-4-[(3-fluorophenyl)methyl]oxane
CID 66049299
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
1-(4-aminooxan-4-yl)-2-(3-fluorophenyl)ethanone
CID 116604489
6-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpyrrolo[3,4-d]pyrimidin-5-ol
CID 155545635
2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631230
N-[[3-[(3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine
CID 65172672
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
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

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one (CID 122652241) is 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3(O)CCOCC3)ncc2c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
The InChIKey is DHTNNFUNTVBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-13-11-23-16(10-21-18(23)19(25)5-7-26-8-6-19)17(24)22(13)12-14-3-2-4-15(20)9-14/h2-4,9-11,25H,5-8,12H2,1H3.
What are the key properties of 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one?
7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one has a molecular weight of 357.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methyl]-3-(4-hydroxyoxan-4-yl)-6-methylimidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).