6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one

C20H16FN5O2 — CID 70067876

IUPAC6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccc(F)cc3)nn3ccncc23)nn1C1CCOC1
InChIInChI=1S/C20H16FN5O2/c21-14-3-1-13(2-4-14)20-19(17-11-22-8-9-25(17)24-20)16-5-6-18(27)26(23-16)15-7-10-28-12-15/h1-6,8-9,11,15H,7,10,12H2
InChIKeyKFHRTCZOSRLKIJ-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.72
Rot. Bonds3

About 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one

6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one (PubChem CID 70067876) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one
PubChem CID70067876
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one
SMILESO=c1ccc(-c2c(-c3ccc(F)cc3)nn3ccncc23)nn1C1CCOC1
InChIInChI=1S/C20H16FN5O2/c21-14-3-1-13(2-4-14)20-19(17-11-22-8-9-25(17)24-20)16-5-6-18(27)26(23-16)15-7-10-28-12-15/h1-6,8-9,11,15H,7,10,12H2
InChIKeyKFHRTCZOSRLKIJ-UHFFFAOYSA-N
XLogP2.72
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one?
The IUPAC name of 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one (CID 70067876) is 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one is O=c1ccc(-c2c(-c3ccc(F)cc3)nn3ccncc23)nn1C1CCOC1.
What is the InChIKey of 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one?
The InChIKey is KFHRTCZOSRLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-14-3-1-13(2-4-14)20-19(17-11-22-8-9-25(17)24-20)16-5-6-18(27)26(23-16)15-7-10-28-12-15/h1-6,8-9,11,15H,7,10,12H2.
What are the key properties of 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one?
6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one has a molecular weight of 377.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-3-yl]-2-(oxolan-3-yl)pyridazin-3-one is sourced from PubChem (CID 70067876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).