methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate

C20H17N3O5 — CID 146036432

IUPACmethyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
SMILESCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc(OC)cc1
InChIInChI=1S/C20H17N3O5/c1-27-12-9-7-11(8-10-12)16-15(20(26)28-2)17(21)23-19(25)14-6-4-3-5-13(14)18(24)22(16)23/h3-10,16H,21H2,1-2H3
InChIKeyZVJZMIVSGNOZOA-UHFFFAOYSA-N
MW379.37 g/mol
LogP1.08
Rot. Bonds3

About methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate

methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate (PubChem CID 146036432) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
PubChem CID146036432
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Namemethyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
SMILESCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc(OC)cc1
InChIInChI=1S/C20H17N3O5/c1-27-12-9-7-11(8-10-12)16-15(20(26)28-2)17(21)23-19(25)14-6-4-3-5-13(14)18(24)22(16)23/h3-10,16H,21H2,1-2H3
InChIKeyZVJZMIVSGNOZOA-UHFFFAOYSA-N
XLogP1.08
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-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 1-(4-methoxyphenyl)-3-methyl-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
CID 135564043
3-amino-1-(4-methylsulfanylphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carbonitrile
CID 146036378
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 9499901
ethyl 3-amino-1-(2,6-dichloroquinolin-3-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
CID 71519538
ethyl 3-amino-1-(1-butylindol-2-yl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate
CID 132507838
4-(2-acetyl-3-methyl-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazin-1-yl)benzonitrile
CID 102197951
methyl 4-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 45103665
methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
CID 134951212
methyl (2Z,5R)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5441376
methyl (2Z,5S)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2248385
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758715
dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
CID 132557467

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
The IUPAC name of methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate (CID 146036432) is methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate is COC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccc(OC)cc1.
What is the InChIKey of methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
The InChIKey is ZVJZMIVSGNOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-12-9-7-11(8-10-12)16-15(20(26)28-2)17(21)23-19(25)14-6-4-3-5-13(14)18(24)22(16)23/h3-10,16H,21H2,1-2H3.
What are the key properties of methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate?
methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate has a molecular weight of 379.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1-(4-methoxyphenyl)-5,10-dioxo-1H-pyrazolo[1,2-b]phthalazine-2-carboxylate is sourced from PubChem (CID 146036432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).