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

C21H18FN5O2 — CID 71550147

IUPAC3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]c(CN2CC(Oc3ccncc3)C2)cn2c(-c3ccc(F)cc3)ncc12
InChIInChI=1S/C21H18FN5O2/c22-15-3-1-14(2-4-15)20-24-9-19-21(28)25-16(11-27(19)20)10-26-12-18(13-26)29-17-5-7-23-8-6-17/h1-9,11,18H,10,12-13H2,(H,25,28)
InChIKeyOPPJESMUQLKXLM-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.49
Rot. Bonds5

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

3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71550147) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71550147
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]c(CN2CC(Oc3ccncc3)C2)cn2c(-c3ccc(F)cc3)ncc12
InChIInChI=1S/C21H18FN5O2/c22-15-3-1-14(2-4-15)20-24-9-19-21(28)25-16(11-27(19)20)10-26-12-18(13-26)29-17-5-7-23-8-6-17/h1-9,11,18H,10,12-13H2,(H,25,28)
InChIKeyOPPJESMUQLKXLM-UHFFFAOYSA-N
XLogP2.49
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
CID 11035880
1-Benzyl-8-methoxy-1h,3h-pyrido[2,1-f]purine-2,4-dione
CID 11427243
N-(4-ethoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766836
2-(2-ethoxyphenyl)-8-methyl-3H-purino[9,8-a]pyridin-4-one
CID 135964375
2-(2-ethoxyphenyl)-7-methyl-3H-purino[9,8-a]pyridin-4-one
CID 135964396
1-Benzyl-8-methoxy-3-(2-methoxyethyl)purino[7,8-a]pyridine-2,4-dione
CID 137631871
1-Benzyl-3-hexyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137633287
1-Benzyl-3-ethyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137636269
1-Benzyl-3-but-3-enyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137644606
1-Benzyl-8-methoxy-3-(3-methylbutyl)purino[7,8-a]pyridine-2,4-dione
CID 137647545
1-Benzyl-3-butyl-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137648440
1-Benzyl-8-methoxy-3-(2-methylpropyl)purino[7,8-a]pyridine-2,4-dione
CID 137650137

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 71550147) is 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one is O=c1[nH]c(CN2CC(Oc3ccncc3)C2)cn2c(-c3ccc(F)cc3)ncc12.
What is the InChIKey of 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is OPPJESMUQLKXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-15-3-1-14(2-4-15)20-24-9-19-21(28)25-16(11-27(19)20)10-26-12-18(13-26)29-17-5-7-23-8-6-17/h1-9,11,18H,10,12-13H2,(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 391.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71550147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).