8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one

C21H14F3N3O — CID 46930632

IUPAC8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C21H14F3N3O/c1-27-20-14(9-13(21(27)28)8-12-2-4-15(22)5-3-12)11-25-26-19(20)17-7-6-16(23)10-18(17)24/h2-7,9-11H,8H2,1H3
InChIKeySTLXBGCPTMFMDO-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.00
Rot. Bonds3

About 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one

8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one (PubChem CID 46930632) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
PubChem CID46930632
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Cc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C21H14F3N3O/c1-27-20-14(9-13(21(27)28)8-12-2-4-15(22)5-3-12)11-25-26-19(20)17-7-6-16(23)10-18(17)24/h2-7,9-11H,8H2,1H3
InChIKeySTLXBGCPTMFMDO-UHFFFAOYSA-N
XLogP4.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,4-difluorophenyl)-3-(2,4-difluorophenylamino)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one
CID 46185428
N-cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido(3,2-d)pyridazin-3-yl)-4-methylbenzamide
CID 46182955
3-[8-(2,4-Difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methylbenzamide
CID 46182956
N-Cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-5-fluoro-4-methylbenzamide
CID 46182957
3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-N,4-dimethylbenzamide
CID 46184147
8-(2,4-Difluorophenyl)-3-(4-fluorophenylamino)-1-methylpyrido-[3,2-d]pyridazin-2(1H)-one
CID 46185682
8-(2,4-Difluorophenyl)-3-((4-fluorophenyl)(methyl)amino)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one
CID 46930631
8-(2,4-Difluorophenyl)-3-[(2,4-difluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930633
3-[8-(2,4-difluorophenyl)-1-methyl-2-oxopyrido[2,3-d]pyridazin-3-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 46930726
1-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carbonyl]piperidine
CID 882738
[1-(4-Fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]-phenylmethanone
CID 44454673
6-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-methyl-3-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 26132921

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one (CID 46930632) is 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one is Cn1c(=O)c(Cc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one?
The InChIKey is STLXBGCPTMFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c1-27-20-14(9-13(21(27)28)8-12-2-4-15(22)5-3-12)11-25-26-19(20)17-7-6-16(23)10-18(17)24/h2-7,9-11H,8H2,1H3.
What are the key properties of 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one?
8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one has a molecular weight of 381.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 46930632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).