ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate

C25H21N3O2 — CID 6405474

IUPACethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-2-30-25(29)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)27-28-24(22)26-20-16-10-5-11-17-20/h3-17H,2H2,1H3,(H,26,28)
InChIKeyWVQXUNBZLOXIIU-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.73
Rot. Bonds6

About ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate

ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 6405474) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate
PubChem CID6405474
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Nameethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Nc2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-2-30-25(29)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)27-28-24(22)26-20-16-10-5-11-17-20/h3-17H,2H2,1H3,(H,26,28)
InChIKeyWVQXUNBZLOXIIU-UHFFFAOYSA-N
XLogP5.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate
CID 6413680
Ethyl 3-[(3,4-dimethylphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6405477
Ethyl 3-[(3,5-dimethylphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6405478
Ethyl 3-[(4-methoxyphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6409844
Ethyl 3-{[3-(methoxycarbonyl)phenyl]amino}-5,6-diphenylpyridazine-4-carboxylate
CID 6411751
Ethyl 3-[(4-hydroxyphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 135419135
Ethyl 4-((4-methylphthalazin-1-yl)amino)benzoate
CID 2869543
Ethyl 3-[(3-methylphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6405475
Ethyl 3-[(4-methylphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6405476
Ethyl 3-[(4-fluorophenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6405479
Ethyl 3-(3-hydroxyanilino)-5,6-diphenylpyridazine-4-carboxylate
CID 6405480
Ethyl 3-[(4-ethoxyphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6409845

Frequently Asked Questions

What is the IUPAC name of ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate (CID 6405474) is ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate is CCOC(=O)c1c(Nc2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is WVQXUNBZLOXIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-2-30-25(29)22-21(18-12-6-3-7-13-18)23(19-14-8-4-9-15-19)27-28-24(22)26-20-16-10-5-11-17-20/h3-17H,2H2,1H3,(H,26,28).
What are the key properties of ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate?
ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-anilino-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 6405474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).