7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one

C16H10FN5O2 — CID 84584745

IUPAC7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H10FN5O2/c17-12-5-1-3-10(7-12)15-21-20-13(24-15)9-22-16(23)14-11(8-19-22)4-2-6-18-14/h1-8H,9H2
InChIKeyKBLRROYKGRRTOK-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.03
Rot. Bonds3

About 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one

7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one (PubChem CID 84584745) has the molecular formula C16H10FN5O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
PubChem CID84584745
Molecular FormulaC16H10FN5O2
Molecular Weight323.29 g/mol
Exact Mass323.08
IUPAC Name7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one
SMILESO=c1c2ncccc2cnn1Cc1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H10FN5O2/c17-12-5-1-3-10(7-12)15-21-20-13(24-15)9-22-16(23)14-11(8-19-22)4-2-6-18-14/h1-8H,9H2
InChIKeyKBLRROYKGRRTOK-UHFFFAOYSA-N
XLogP2.03
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one (CID 84584745) is 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one is O=c1c2ncccc2cnn1Cc1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
The InChIKey is KBLRROYKGRRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2/c17-12-5-1-3-10(7-12)15-21-20-13(24-15)9-22-16(23)14-11(8-19-22)4-2-6-18-14/h1-8H,9H2.
What are the key properties of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one?
7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one has a molecular weight of 323.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 84584745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).