8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one

C19H13F2N5O — CID 67004197

IUPAC8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Nc2ccncc2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C19H13F2N5O/c1-26-18-11(8-16(19(26)27)24-13-4-6-22-7-5-13)10-23-25-17(18)14-3-2-12(20)9-15(14)21/h2-10H,1H3,(H,22,24)
InChIKeyPLLIVARJSPCMHN-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.41
Rot. Bonds3

About 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one

8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one (PubChem CID 67004197) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one
PubChem CID67004197
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC Name8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Nc2ccncc2)cc2cnnc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C19H13F2N5O/c1-26-18-11(8-16(19(26)27)24-13-4-6-22-7-5-13)10-23-25-17(18)14-3-2-12(20)9-15(14)21/h2-10H,1H3,(H,22,24)
InChIKeyPLLIVARJSPCMHN-UHFFFAOYSA-N
XLogP3.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one with MolForge

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Related Compounds

3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
CID 46930537
3-(cyclohexylmethyl)-8-(2,4-difluorophenyl)-1-methylpyrido[2,3-d]pyridazin-2-one
CID 58514576
1-(2,4-difluorophenyl)phthalazine
CID 175330738
4-(2,4-difluorophenyl)pyridine
CID 45036856
8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887613
N-(3-fluoro-4-pyrido[3,4-d]pyridazin-1-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 24999273
5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride
CID 19595216
6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23434539
4-(2,4-difluorophenyl)-7,8-dimethylimidazo[1,5-a][1,3,5]triazin-6-one
CID 168887953
4-(2,4-difluorophenyl)-6-(4-fluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 10090852
5,6-bis(pyridin-4-ylamino)isoindole-1,3-dione
CID 22918402
4-(2,4-difluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692598

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one (CID 67004197) is 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one is Cn1c(=O)c(Nc2ccncc2)cc2cnnc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one?
The InChIKey is PLLIVARJSPCMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c1-26-18-11(8-16(19(26)27)24-13-4-6-22-7-5-13)10-23-25-17(18)14-3-2-12(20)9-15(14)21/h2-10H,1H3,(H,22,24).
What are the key properties of 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one?
8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one has a molecular weight of 365.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-1-methyl-3-(pyridin-4-ylamino)pyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 67004197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).