8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline

C16H16BrN5 — CID 59392630

IUPAC8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline
SMILESBrc1cccc2ncc(-c3cnn(C4CCNCC4)c3)nc12
InChIInChI=1S/C16H16BrN5/c17-13-2-1-3-14-16(13)21-15(9-19-14)11-8-20-22(10-11)12-4-6-18-7-5-12/h1-3,8-10,12,18H,4-7H2
InChIKeyCRYBMYRYGRPAMS-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.18
Rot. Bonds2

About 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline

8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline (PubChem CID 59392630) has the molecular formula C16H16BrN5 and a molecular weight of 358.24 g/mol. Its IUPAC name is 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline.

Molecular Properties

Compound Name8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline
PubChem CID59392630
Molecular FormulaC16H16BrN5
Molecular Weight358.24 g/mol
Exact Mass357.06
IUPAC Name8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline
SMILESBrc1cccc2ncc(-c3cnn(C4CCNCC4)c3)nc12
InChIInChI=1S/C16H16BrN5/c17-13-2-1-3-14-16(13)21-15(9-19-14)11-8-20-22(10-11)12-4-6-18-7-5-12/h1-3,8-10,12,18H,4-7H2
InChIKeyCRYBMYRYGRPAMS-UHFFFAOYSA-N
XLogP3.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline?
The IUPAC name of 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline (CID 59392630) is 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline.
What is the SMILES notation for 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline?
The canonical SMILES for 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline is Brc1cccc2ncc(-c3cnn(C4CCNCC4)c3)nc12.
What is the InChIKey of 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline?
The InChIKey is CRYBMYRYGRPAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5/c17-13-2-1-3-14-16(13)21-15(9-19-14)11-8-20-22(10-11)12-4-6-18-7-5-12/h1-3,8-10,12,18H,4-7H2.
What are the key properties of 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline?
8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline has a molecular weight of 358.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(1-piperidin-4-ylpyrazol-4-yl)quinoxaline is sourced from PubChem (CID 59392630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).