6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline

C14H9BrN6O — CID 133406614

IUPAC6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline
SMILESCn1nc(Br)c2c(Oc3ccc4nccnc4c3)ncnc21
InChIInChI=1S/C14H9BrN6O/c1-21-13-11(12(15)20-21)14(19-7-18-13)22-8-2-3-9-10(6-8)17-5-4-16-9/h2-7H,1H3
InChIKeyDCZUMNYOXSFIQB-UHFFFAOYSA-N
MW357.17 g/mol
LogP2.86
Rot. Bonds2

About 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline

6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline (PubChem CID 133406614) has the molecular formula C14H9BrN6O and a molecular weight of 357.17 g/mol. Its IUPAC name is 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline.

Molecular Properties

Compound Name6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline
PubChem CID133406614
Molecular FormulaC14H9BrN6O
Molecular Weight357.17 g/mol
Exact Mass356.00
IUPAC Name6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline
SMILESCn1nc(Br)c2c(Oc3ccc4nccnc4c3)ncnc21
InChIInChI=1S/C14H9BrN6O/c1-21-13-11(12(15)20-21)14(19-7-18-13)22-8-2-3-9-10(6-8)17-5-4-16-9/h2-7H,1H3
InChIKeyDCZUMNYOXSFIQB-UHFFFAOYSA-N
XLogP2.86
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline?
The IUPAC name of 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline (CID 133406614) is 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline.
What is the SMILES notation for 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline?
The canonical SMILES for 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline is Cn1nc(Br)c2c(Oc3ccc4nccnc4c3)ncnc21.
What is the InChIKey of 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline?
The InChIKey is DCZUMNYOXSFIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN6O/c1-21-13-11(12(15)20-21)14(19-7-18-13)22-8-2-3-9-10(6-8)17-5-4-16-9/h2-7H,1H3.
What are the key properties of 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline?
6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline has a molecular weight of 357.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyquinoxaline is sourced from PubChem (CID 133406614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).