3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one

C17H12FN5O2 — CID 53482185

IUPAC3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one
SMILESCn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21
InChIInChI=1S/C17H12FN5O2/c1-23-12-3-2-8-19-14(12)16(24)15(22-23)17-21-20-13(25-17)9-10-4-6-11(18)7-5-10/h2-8H,9H2,1H3
InChIKeyPJAFDBBBLUBFOI-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.11
Rot. Bonds3

About 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one

3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one (PubChem CID 53482185) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one
PubChem CID53482185
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one
SMILESCn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21
InChIInChI=1S/C17H12FN5O2/c1-23-12-3-2-8-19-14(12)16(24)15(22-23)17-21-20-13(25-17)9-10-4-6-11(18)7-5-10/h2-8H,9H2,1H3
InChIKeyPJAFDBBBLUBFOI-UHFFFAOYSA-N
XLogP2.11
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one (CID 53482185) is 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one is Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one?
The InChIKey is PJAFDBBBLUBFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-23-12-3-2-8-19-14(12)16(24)15(22-23)17-21-20-13(25-17)9-10-4-6-11(18)7-5-10/h2-8H,9H2,1H3.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one?
3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one has a molecular weight of 337.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one is sourced from PubChem (CID 53482185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).