methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate

C21H14N2O6 — CID 54712141

IUPACmethyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(O)c(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C21H14N2O6/c1-28-21(27)16-18-15(19(25)23(22-16)13-10-6-3-7-11-13)17(24)14(20(26)29-18)12-8-4-2-5-9-12/h2-11,24H,1H3
InChIKeyRWQABOPMNJZJKY-UHFFFAOYSA-N
MW390.35 g/mol
LogP2.50
Rot. Bonds3

About methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate

methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate (PubChem CID 54712141) has the molecular formula C21H14N2O6 and a molecular weight of 390.35 g/mol. Its IUPAC name is methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate
PubChem CID54712141
Molecular FormulaC21H14N2O6
Molecular Weight390.35 g/mol
Exact Mass390.09
IUPAC Namemethyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(O)c(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C21H14N2O6/c1-28-21(27)16-18-15(19(25)23(22-16)13-10-6-3-7-11-13)17(24)14(20(26)29-18)12-8-4-2-5-9-12/h2-11,24H,1H3
InChIKeyRWQABOPMNJZJKY-UHFFFAOYSA-N
XLogP2.50
TPSA111.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-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

4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
CID 102170831
5-bromo-3-methoxycarbonyl-6-oxo-1-phenylpyridazin-4-olate
CID 51372770
methyl 5-amino-7-methyl-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 2814245
dimethyl 4-oxo-1-phenyl-6-propan-2-ylpyridazine-3,5-dicarboxylate
CID 14031226
methyl 4-oxo-1-phenyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazole-3-carboxylate
CID 56589821
methyl 4-bromo-5-tert-butyl-1-phenylpyrazole-3-carboxylate
CID 53263021
methyl 6-oxo-1-phenyl-4H-thieno[3,4-d]pyrazole-3-carboxylate
CID 57412371
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
CID 15942029
methyl 3-(4-hydroxy-2,5-dioxo-6-phenylpyrano[3,2-c]quinolin-3-yl)sulfanylbenzoate
CID 59241481
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
CID 59163086
5-methoxycarbonyl-3-oxo-2-phenyl-6-(trifluoromethyl)pyridazin-4-olate
CID 54719430
methyl 2-[(2,4,5-triphenylpyrazol-3-yl)methoxy]benzoate
CID 11612322

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate?
The IUPAC name of methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate (CID 54712141) is methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate?
The canonical SMILES for methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate is COC(=O)c1nn(-c2ccccc2)c(=O)c2c(O)c(-c3ccccc3)c(=O)oc12.
What is the InChIKey of methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate?
The InChIKey is RWQABOPMNJZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O6/c1-28-21(27)16-18-15(19(25)23(22-16)13-10-6-3-7-11-13)17(24)14(20(26)29-18)12-8-4-2-5-9-12/h2-11,24H,1H3.
What are the key properties of methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate?
methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate has a molecular weight of 390.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate is sourced from PubChem (CID 54712141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).