methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C16H11N5O5 — CID 91822809

IUPACmethyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H11N5O5/c1-26-16(25)9-6-21(5-8-12(9)19-20-13(8)22)7-2-3-10-11(4-7)18-15(24)14(23)17-10/h2-6H,1H3,(H,17,23)(H,18,24)(H,20,22)
InChIKeyLQEZTGKGQMZUOC-UHFFFAOYSA-N
MW353.29 g/mol
LogP-0.02
Rot. Bonds2

About methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 91822809) has the molecular formula C16H11N5O5 and a molecular weight of 353.29 g/mol. Its IUPAC name is methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID91822809
Molecular FormulaC16H11N5O5
Molecular Weight353.29 g/mol
Exact Mass353.08
IUPAC Namemethyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C16H11N5O5/c1-26-16(25)9-6-21(5-8-12(9)19-20-13(8)22)7-2-3-10-11(4-7)18-15(24)14(23)17-10/h2-6H,1H3,(H,17,23)(H,18,24)(H,20,22)
InChIKeyLQEZTGKGQMZUOC-UHFFFAOYSA-N
XLogP-0.02
TPSA142.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 91822809) is methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is LQEZTGKGQMZUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O5/c1-26-16(25)9-6-21(5-8-12(9)19-20-13(8)22)7-2-3-10-11(4-7)18-15(24)14(23)17-10/h2-6H,1H3,(H,17,23)(H,18,24)(H,20,22).
What are the key properties of methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 353.29 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 91822809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).