methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate

C20H17F2N3O3 — CID 150802057

IUPACmethyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate
SMILESCCOc1ccc(Nc2cc(-c3c(F)cccc3F)nnc2C(=O)OC)cc1
InChIInChI=1S/C20H17F2N3O3/c1-3-28-13-9-7-12(8-10-13)23-17-11-16(24-25-19(17)20(26)27-2)18-14(21)5-4-6-15(18)22/h4-11H,3H2,1-2H3,(H,23,24)
InChIKeyKGBOUEKMDUMPES-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.35
Rot. Bonds6

About methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate (PubChem CID 150802057) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate
PubChem CID150802057
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate
SMILESCCOc1ccc(Nc2cc(-c3c(F)cccc3F)nnc2C(=O)OC)cc1
InChIInChI=1S/C20H17F2N3O3/c1-3-28-13-9-7-12(8-10-13)23-17-11-16(24-25-19(17)20(26)27-2)18-14(21)5-4-6-15(18)22/h4-11H,3H2,1-2H3,(H,23,24)
InChIKeyKGBOUEKMDUMPES-UHFFFAOYSA-N
XLogP4.35
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 89723873
Ethyl 5-(4-fluorophenyl)-1-(4-methoxyphenyl)triazole-4-carboxylate
CID 101503184
Ethyl 4-[(2,4-difluorophenyl)amino]-6,7-dimethoxycinnoline-3-carboxylate
CID 67083765
Ethyl 2-(4-ethoxy-2-fluorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazine-7-carboxylate
CID 134564620
Methyl 4-[4-(chloromethyl)anilino]-6-(2,6-difluorophenyl)pyridazine-3-carboxylate
CID 150777810
Tert-butyl 4-[[3-carbamoyl-6-(2,6-difluorophenyl)pyridazin-4-yl]amino]benzoate
CID 151655083
Methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 151704479
Methyl 6-(2,6-difluorophenyl)-4-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]anilino]pyridazine-3-carboxylate
CID 151942860
6-(2,6-Difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylic acid
CID 152002666
Methyl 6-(2,6-difluorophenyl)-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino]pyridazine-3-carboxylate
CID 152402714
Methyl 6-(2,6-difluorophenyl)-4-[4-(thian-4-yloxy)anilino]pyridazine-3-carboxylate
CID 152494644
Methyl 6-(2,6-difluorophenyl)-4-[3-fluoro-4-(oxan-4-yl)anilino]pyridazine-3-carboxylate
CID 152513989

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate (CID 150802057) is methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate is CCOc1ccc(Nc2cc(-c3c(F)cccc3F)nnc2C(=O)OC)cc1.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate?
The InChIKey is KGBOUEKMDUMPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-3-28-13-9-7-12(8-10-13)23-17-11-16(24-25-19(17)20(26)27-2)18-14(21)5-4-6-15(18)22/h4-11H,3H2,1-2H3,(H,23,24).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate has a molecular weight of 385.37 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate is sourced from PubChem (CID 150802057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).