6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid

C21H19ClFN3O4 — CID 175411963

IUPAC6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CCNc2cc(-c3cc(Cl)ccc3F)nnc2C(=O)O)c(OC)c1
InChIInChI=1S/C21H19ClFN3O4/c1-29-14-5-3-12(19(10-14)30-2)7-8-24-18-11-17(25-26-20(18)21(27)28)15-9-13(22)4-6-16(15)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,25)(H,27,28)
InChIKeyNUKHPFQYXBWYMY-UHFFFAOYSA-N
MW431.85 g/mol
LogP4.31
Rot. Bonds8

About 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid

6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid (PubChem CID 175411963) has the molecular formula C21H19ClFN3O4 and a molecular weight of 431.85 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
PubChem CID175411963
Molecular FormulaC21H19ClFN3O4
Molecular Weight431.85 g/mol
Exact Mass431.10
IUPAC Name6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
SMILESCOc1ccc(CCNc2cc(-c3cc(Cl)ccc3F)nnc2C(=O)O)c(OC)c1
InChIInChI=1S/C21H19ClFN3O4/c1-29-14-5-3-12(19(10-14)30-2)7-8-24-18-11-17(25-26-20(18)21(27)28)15-9-13(22)4-6-16(15)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,25)(H,27,28)
InChIKeyNUKHPFQYXBWYMY-UHFFFAOYSA-N
XLogP4.31
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid with MolForge

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Related Compounds

Methyl 6-(2,6-difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 151704479
Ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-5-fluoropyridazine-3-carboxylate
CID 167241213
[6-(5-Chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]methanol
CID 168072401
Methyl 6-(5-chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylate
CID 168072460
2-[2-[6-(5-Chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]oxyethylcarbamoyl]benzoic acid
CID 168162992
6-(5-Chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methyl-methylamino]pyridazine-3-carboxylic acid
CID 175411961
6-(2,6-Difluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
CID 175721037
6-(2,6-Difluoro-3-methylphenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
CID 175721188
2-[[6-(5-Chloro-2-fluorophenyl)-4-[(2,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]methoxy]ethanol
CID 176083855
6-Chloro-4-(2,4-dimethoxy-benzylamino)-pyridazine-3-carboxylic acid methyl ester
CID 152089812
4-[(2,4-Dimethoxyphenyl)methylamino]pyridazine-3-carboxylic acid
CID 152581051
6-Chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 171770050

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid (CID 175411963) is 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid is COc1ccc(CCNc2cc(-c3cc(Cl)ccc3F)nnc2C(=O)O)c(OC)c1.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
The InChIKey is NUKHPFQYXBWYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O4/c1-29-14-5-3-12(19(10-14)30-2)7-8-24-18-11-17(25-26-20(18)21(27)28)15-9-13(22)4-6-16(15)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,25)(H,27,28).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid?
6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid has a molecular weight of 431.85 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-4-[2-(2,4-dimethoxyphenyl)ethylamino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 175411963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).