ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate

C26H23N3O3 — CID 6409844

IUPACethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-3-32-26(30)23-22(18-10-6-4-7-11-18)24(19-12-8-5-9-13-19)28-29-25(23)27-20-14-16-21(31-2)17-15-20/h4-17H,3H2,1-2H3,(H,27,29)
InChIKeyRSUVJXMLKQOTQU-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.74
Rot. Bonds7

About ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate

ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate (PubChem CID 6409844) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate
PubChem CID6409844
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Nameethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-3-32-26(30)23-22(18-10-6-4-7-11-18)24(19-12-8-5-9-13-19)28-29-25(23)27-20-14-16-21(31-2)17-15-20/h4-17H,3H2,1-2H3,(H,27,29)
InChIKeyRSUVJXMLKQOTQU-UHFFFAOYSA-N
XLogP5.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[4-({4-[chloro(difluoro)methoxy]phenyl}amino)phthalazin-1-yl]benzoate
CID 5292029
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
5-methoxy-2-(3-methyl-1-o-tolyl-4-p-tolyl-1H-pyrazol-5-ylamino)benzoic acid
CID 52942696
1-{3-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-ethanone
CID 644406
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-{[3-(methoxycarbonyl)phenyl]amino}-5,6-diphenylpyridazine-4-carboxylate
CID 6411751
Ethyl 3-[(4-hydroxyphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 135419135
2-Methoxy-5-((4-methylphthalazin-1-yl)amino)benzamide
CID 659452
2-Methoxy-5-{[4-(4-methoxyphenyl)phthalazin-1-yl]amino}benzamide
CID 1419332
Ethyl 5,6-diphenyl-3-(phenylamino)pyridazine-4-carboxylate
CID 6405474
Ethyl 3-[(3-methylphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6405475

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate (CID 6409844) is ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate is CCOC(=O)c1c(Nc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate?
The InChIKey is RSUVJXMLKQOTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-3-32-26(30)23-22(18-10-6-4-7-11-18)24(19-12-8-5-9-13-19)28-29-25(23)27-20-14-16-21(31-2)17-15-20/h4-17H,3H2,1-2H3,(H,27,29).
What are the key properties of ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate?
ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyanilino)-5,6-diphenylpyridazine-4-carboxylate is sourced from PubChem (CID 6409844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).