methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate

C13H10N2O3 — CID 11413810

IUPACmethyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)C(=O)c1ccccc1C2
InChIInChI=1S/C13H10N2O3/c1-18-13(17)11-7-9-6-8-4-2-3-5-10(8)12(16)15(9)14-11/h2-5,7H,6H2,1H3
InChIKeyVZLGZGLHYMRBSF-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.26
Rot. Bonds1

About methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate

methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate (PubChem CID 11413810) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate
PubChem CID11413810
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Namemethyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)C(=O)c1ccccc1C2
InChIInChI=1S/C13H10N2O3/c1-18-13(17)11-7-9-6-8-4-2-3-5-10(8)12(16)15(9)14-11/h2-5,7H,6H2,1H3
InChIKeyVZLGZGLHYMRBSF-UHFFFAOYSA-N
XLogP1.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-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

Frequently Asked Questions

What is the IUPAC name of methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate?
The IUPAC name of methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate (CID 11413810) is methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate?
The canonical SMILES for methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate is COC(=O)c1cc2n(n1)C(=O)c1ccccc1C2.
What is the InChIKey of methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate?
The InChIKey is VZLGZGLHYMRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-18-13(17)11-7-9-6-8-4-2-3-5-10(8)12(16)15(9)14-11/h2-5,7H,6H2,1H3.
What are the key properties of methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate?
methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxo-4H-pyrazolo[1,5-b]isoquinoline-2-carboxylate is sourced from PubChem (CID 11413810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).