8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline

C19H20BrN5 — CID 67540190

IUPAC8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline
SMILESBrc1cccc2ncc(-c3cnn(C4CCN(C5CC5)CC4)c3)nc12
InChIInChI=1S/C19H20BrN5/c20-16-2-1-3-17-19(16)23-18(11-21-17)13-10-22-25(12-13)15-6-8-24(9-7-15)14-4-5-14/h1-3,10-12,14-15H,4-9H2
InChIKeyKXDDIQZQFHLRST-UHFFFAOYSA-N
MW398.31 g/mol
LogP4.06
Rot. Bonds3

About 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline

8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline (PubChem CID 67540190) has the molecular formula C19H20BrN5 and a molecular weight of 398.31 g/mol. Its IUPAC name is 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline
PubChem CID67540190
Molecular FormulaC19H20BrN5
Molecular Weight398.31 g/mol
Exact Mass397.09
IUPAC Name8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline
SMILESBrc1cccc2ncc(-c3cnn(C4CCN(C5CC5)CC4)c3)nc12
InChIInChI=1S/C19H20BrN5/c20-16-2-1-3-17-19(16)23-18(11-21-17)13-10-22-25(12-13)15-6-8-24(9-7-15)14-4-5-14/h1-3,10-12,14-15H,4-9H2
InChIKeyKXDDIQZQFHLRST-UHFFFAOYSA-N
XLogP4.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline?
The IUPAC name of 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline (CID 67540190) is 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline?
The canonical SMILES for 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline is Brc1cccc2ncc(-c3cnn(C4CCN(C5CC5)CC4)c3)nc12.
What is the InChIKey of 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline?
The InChIKey is KXDDIQZQFHLRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5/c20-16-2-1-3-17-19(16)23-18(11-21-17)13-10-22-25(12-13)15-6-8-24(9-7-15)14-4-5-14/h1-3,10-12,14-15H,4-9H2.
What are the key properties of 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline?
8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline has a molecular weight of 398.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 67540190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).