6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid

C20H17F2N3O4 — CID 175721037

IUPAC6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CNc2cc(-c3c(F)cccc3F)nnc2C(=O)O)c(OC)c1
InChIInChI=1S/C20H17F2N3O4/c1-28-12-7-6-11(17(8-12)29-2)10-23-16-9-15(24-25-19(16)20(26)27)18-13(21)4-3-5-14(18)22/h3-9H,10H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyHBPWBBJNDDZCBB-UHFFFAOYSA-N
MW401.37 g/mol
LogP3.75
Rot. Bonds7

About 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid

6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid (PubChem CID 175721037) has the molecular formula C20H17F2N3O4 and a molecular weight of 401.37 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
PubChem CID175721037
Molecular FormulaC20H17F2N3O4
Molecular Weight401.37 g/mol
Exact Mass401.12
IUPAC Name6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CNc2cc(-c3c(F)cccc3F)nnc2C(=O)O)c(OC)c1
InChIInChI=1S/C20H17F2N3O4/c1-28-12-7-6-11(17(8-12)29-2)10-23-16-9-15(24-25-19(16)20(26)27)18-13(21)4-3-5-14(18)22/h3-9H,10H2,1-2H3,(H,23,24)(H,26,27)
InChIKeyHBPWBBJNDDZCBB-UHFFFAOYSA-N
XLogP3.75
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid with MolForge

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Related Compounds

(3R)-3-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 127051011
APJ receptor agonist 6
CID 127051280
(3S)-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-phenylpentanoic acid
CID 127051222
4-[[5-(2,6-Dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 118568863
3-Cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(3-fluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 118568475
3-Cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 118568486
(3S)-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-piperidin-1-ylpentanoic acid
CID 140912114
Methyl 6-(2,6-difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylate
CID 150802057
Methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 151704479
6-(2,6-Difluorophenyl)-4-(4-ethoxyanilino)pyridazine-3-carboxylic acid
CID 152002666
(3S)-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-6-phenylhexanoic acid
CID 156142144
Ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-5-fluoropyridazine-3-carboxylate
CID 167241213

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid (CID 175721037) is 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid is COc1ccc(CNc2cc(-c3c(F)cccc3F)nnc2C(=O)O)c(OC)c1.
What is the InChIKey of 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
The InChIKey is HBPWBBJNDDZCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O4/c1-28-12-7-6-11(17(8-12)29-2)10-23-16-9-15(24-25-19(16)20(26)27)18-13(21)4-3-5-14(18)22/h3-9H,10H2,1-2H3,(H,23,24)(H,26,27).
What are the key properties of 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid?
6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid has a molecular weight of 401.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 175721037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).