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

C20H12F4N4O — CID 46185428

IUPAC3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C20H12F4N4O/c1-28-19-10(9-25-27-18(19)13-4-2-11(21)7-14(13)23)6-17(20(28)29)26-16-5-3-12(22)8-15(16)24/h2-9,26H,1H3
InChIKeyVOTZULFLTVONLH-UHFFFAOYSA-N
MW400.34 g/mol
LogP4.30
Rot. Bonds3

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

3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one (PubChem CID 46185428) has the molecular formula C20H12F4N4O and a molecular weight of 400.34 g/mol. Its IUPAC name is 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
PubChem CID46185428
Molecular FormulaC20H12F4N4O
Molecular Weight400.34 g/mol
Exact Mass400.09
IUPAC Name3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C20H12F4N4O/c1-28-19-10(9-25-27-18(19)13-4-2-11(21)7-14(13)23)6-17(20(28)29)26-16-5-3-12(22)8-15(16)24/h2-9,26H,1H3
InChIKeyVOTZULFLTVONLH-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one (CID 46185428) is 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one is Cn1c(=O)c(Nc2ccc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
The InChIKey is VOTZULFLTVONLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O/c1-28-19-10(9-25-27-18(19)13-4-2-11(21)7-14(13)23)6-17(20(28)29)26-16-5-3-12(22)8-15(16)24/h2-9,26H,1H3.
What are the key properties of 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one?
3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one has a molecular weight of 400.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoroanilino)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 46185428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).