6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid

C21H19F3N6O2 — CID 152535877

IUPAC6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid
SMILESCN1CCN(c2cnc(Nc3cc(-c4c(F)cccc4F)nnc3C(=O)O)c(F)c2)CC1
InChIInChI=1S/C21H19F3N6O2/c1-29-5-7-30(8-6-29)12-9-15(24)20(25-11-12)26-17-10-16(27-28-19(17)21(31)32)18-13(22)3-2-4-14(18)23/h2-4,9-11H,5-8H2,1H3,(H,31,32)(H,25,26,27)
InChIKeyYKMZORGDVQNPDP-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.15
Rot. Bonds5

About 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid

6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid (PubChem CID 152535877) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid
PubChem CID152535877
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC Name6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid
SMILESCN1CCN(c2cnc(Nc3cc(-c4c(F)cccc4F)nnc3C(=O)O)c(F)c2)CC1
InChIInChI=1S/C21H19F3N6O2/c1-29-5-7-30(8-6-29)12-9-15(24)20(25-11-12)26-17-10-16(27-28-19(17)21(31)32)18-13(22)3-2-4-14(18)23/h2-4,9-11H,5-8H2,1H3,(H,31,32)(H,25,26,27)
InChIKeyYKMZORGDVQNPDP-UHFFFAOYSA-N
XLogP3.15
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid with MolForge

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Related Compounds

methyl 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylate
CID 150548145
6-(2,6-difluorophenyl)-4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxamide
CID 163811469
6-(2-chloro-6-fluorophenyl)-4-[4-(oxetan-3-yl)anilino]pyridazine-3-carboxylic acid
CID 175721119
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
methyl 6-(2,6-difluorophenyl)-4-[(5-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylate
CID 152566275
6-(2,6-difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 174998817
4-[[3-carbamoyl-6-(2-chloro-6-fluorophenyl)pyridazin-4-yl]amino]benzoic acid
CID 151988411
2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 57489643
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264
5-chloro-N-(2-fluoro-6-methoxyphenyl)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 169085630
3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 44526828
1-[4-[4-[[5-fluoro-4-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 118105735

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid (CID 152535877) is 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid is CN1CCN(c2cnc(Nc3cc(-c4c(F)cccc4F)nnc3C(=O)O)c(F)c2)CC1.
What is the InChIKey of 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid?
The InChIKey is YKMZORGDVQNPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-29-5-7-30(8-6-29)12-9-15(24)20(25-11-12)26-17-10-16(27-28-19(17)21(31)32)18-13(22)3-2-4-14(18)23/h2-4,9-11H,5-8H2,1H3,(H,31,32)(H,25,26,27).
What are the key properties of 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid?
6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid has a molecular weight of 444.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-4-[[3-fluoro-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 152535877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).