6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H12N6O2 — CID 11500889

IUPAC6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc2nc(-c3cnc4c(C#N)c[nH]n4c3=O)c(=O)[nH]c2cc1C
InChIInChI=1S/C17H12N6O2/c1-8-3-12-13(4-9(8)2)22-16(24)14(21-12)11-7-19-15-10(5-18)6-20-23(15)17(11)25/h3-4,6-7,20H,1-2H3,(H,22,24)
InChIKeyIIBIZUDUORWKMP-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.41
Rot. Bonds1

About 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 11500889) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID11500889
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc2nc(-c3cnc4c(C#N)c[nH]n4c3=O)c(=O)[nH]c2cc1C
InChIInChI=1S/C17H12N6O2/c1-8-3-12-13(4-9(8)2)22-16(24)14(21-12)11-7-19-15-10(5-18)6-20-23(15)17(11)25/h3-4,6-7,20H,1-2H3,(H,22,24)
InChIKeyIIBIZUDUORWKMP-UHFFFAOYSA-N
XLogP1.41
TPSA119.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 11500889) is 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc2nc(-c3cnc4c(C#N)c[nH]n4c3=O)c(=O)[nH]c2cc1C.
What is the InChIKey of 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is IIBIZUDUORWKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c1-8-3-12-13(4-9(8)2)22-16(24)14(21-12)11-7-19-15-10(5-18)6-20-23(15)17(11)25/h3-4,6-7,20H,1-2H3,(H,22,24).
What are the key properties of 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 332.32 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 11500889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).