6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C17H16FN5O2 — CID 126791482

IUPAC6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(Cc1nc(-c3ccccc3F)no1)CC2
InChIInChI=1S/C17H16FN5O2/c1-22-16(24)8-11-9-23(7-6-14(11)20-22)10-15-19-17(21-25-15)12-4-2-3-5-13(12)18/h2-5,8H,6-7,9-10H2,1H3
InChIKeyXUCOKOAUDIBXEM-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.53
Rot. Bonds3

About 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 126791482) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID126791482
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(Cc1nc(-c3ccccc3F)no1)CC2
InChIInChI=1S/C17H16FN5O2/c1-22-16(24)8-11-9-23(7-6-14(11)20-22)10-15-19-17(21-25-15)12-4-2-3-5-13(12)18/h2-5,8H,6-7,9-10H2,1H3
InChIKeyXUCOKOAUDIBXEM-UHFFFAOYSA-N
XLogP1.53
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-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-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 71823752
6-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
CID 120849479
methyl 3-[(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)methyl]thiophene-2-carboxylate
CID 71971937
5-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 29149761
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
2-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947512
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 15999074
1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 170506769
6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947515
3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917361
3-phenyl-5-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917349
6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 111469786

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 126791482) is 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(Cc1nc(-c3ccccc3F)no1)CC2.
What is the InChIKey of 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is XUCOKOAUDIBXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22-16(24)8-11-9-23(7-6-14(11)20-22)10-15-19-17(21-25-15)12-4-2-3-5-13(12)18/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 341.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126791482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).