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

C20H13F3N4O — CID 46185682

IUPAC8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C20H13F3N4O/c1-27-19-11(8-17(20(27)28)25-14-5-2-12(21)3-6-14)10-24-26-18(19)15-7-4-13(22)9-16(15)23/h2-10,25H,1H3
InChIKeyXNBPLUFEJLLDJO-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.16
Rot. Bonds3

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

8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one (PubChem CID 46185682) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one
PubChem CID46185682
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C20H13F3N4O/c1-27-19-11(8-17(20(27)28)25-14-5-2-12(21)3-6-14)10-24-26-18(19)15-7-4-13(22)9-16(15)23/h2-10,25H,1H3
InChIKeyXNBPLUFEJLLDJO-UHFFFAOYSA-N
XLogP4.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-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
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 16255048
(E)-N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 24981637
8-(2,4-Difluorophenyl)-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930632
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]acrylamide
CID 5349587

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one (CID 46185682) is 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one is Cn1c(=O)c(Nc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one?
The InChIKey is XNBPLUFEJLLDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c1-27-19-11(8-17(20(27)28)25-14-5-2-12(21)3-6-14)10-24-26-18(19)15-7-4-13(22)9-16(15)23/h2-10,25H,1H3.
What are the key properties of 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one?
8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one has a molecular weight of 382.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-3-(4-fluoroanilino)-1-methylpyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 46185682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).