3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one

C20H17FN6O — CID 71549601

IUPAC3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]c(CN2CC(c3ncccn3)C2)cn2c(-c3ccc(F)cc3)ncc12
InChIInChI=1S/C20H17FN6O/c21-15-4-2-13(3-5-15)19-24-8-17-20(28)25-16(12-27(17)19)11-26-9-14(10-26)18-22-6-1-7-23-18/h1-8,12,14H,9-11H2,(H,25,28)
InChIKeyFQTKUALMFWAFOT-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one

3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71549601) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71549601
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]c(CN2CC(c3ncccn3)C2)cn2c(-c3ccc(F)cc3)ncc12
InChIInChI=1S/C20H17FN6O/c21-15-4-2-13(3-5-15)19-24-8-17-20(28)25-16(12-27(17)19)11-26-9-14(10-26)18-22-6-1-7-23-18/h1-8,12,14H,9-11H2,(H,25,28)
InChIKeyFQTKUALMFWAFOT-UHFFFAOYSA-N
XLogP2.22
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 71549601) is 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one is O=c1[nH]c(CN2CC(c3ncccn3)C2)cn2c(-c3ccc(F)cc3)ncc12.
What is the InChIKey of 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is FQTKUALMFWAFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-15-4-2-13(3-5-15)19-24-8-17-20(28)25-16(12-27(17)19)11-26-9-14(10-26)18-22-6-1-7-23-18/h1-8,12,14H,9-11H2,(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 376.40 g/mol, XLogP of 2.22, 4 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-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71549601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).