methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C16H11N5O5 — CID 125433537

About methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 125433537) has the molecular formula C16H11N5O5 and a molecular weight of 353.29 g/mol. Its IUPAC name is methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 125433537
• Molecular Formula: C16H11N5O5
• Molecular Weight: 353.29 g/mol
• Exact Mass: 353.08
• IUPAC Name: methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(-n2c(=O)[nH]c3ccccc3c2=O)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C16H11N5O5/c1-26-15(24)10-7-20(6-9-12(10)18-19-13(9)22)21-14(23)8-4-2-3-5-11(8)17-16(21)25/h2-7H,1H3,(H,17,25)(H,19,22)
• InChIKey: XRXUPYXGFVXFDS-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 131.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.29
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 125433537) is methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-n2c(=O)[nH]c3ccccc3c2=O)cc2c(=O)[nH]nc1-2.

What is the InChIKey of methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is XRXUPYXGFVXFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O5/c1-26-15(24)10-7-20(6-9-12(10)18-19-13(9)22)21-14(23)8-4-2-3-5-11(8)17-16(21)25/h2-7H,1H3,(H,17,25)(H,19,22).

What are the key properties of methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 353.29 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(2,4-dioxo-1H-quinazolin-3-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 125433537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).