3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C17H12BrClN6 — CID 137423713

IUPAC3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C17H12BrClN6/c1-25-6-4-12(24-25)15-14(22-16(18)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)
InChIKeyMGXWTLDBNVSPDC-UHFFFAOYSA-N
MW415.68 g/mol
LogP4.09
Rot. Bonds2

About 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137423713) has the molecular formula C17H12BrClN6 and a molecular weight of 415.68 g/mol. Its IUPAC name is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137423713
Molecular FormulaC17H12BrClN6
Molecular Weight415.68 g/mol
Exact Mass414.00
IUPAC Name3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C17H12BrClN6/c1-25-6-4-12(24-25)15-14(22-16(18)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23)
InChIKeyMGXWTLDBNVSPDC-UHFFFAOYSA-N
XLogP4.09
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine 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 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137423713) is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(Br)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is MGXWTLDBNVSPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN6/c1-25-6-4-12(24-25)15-14(22-16(18)17(20)23-15)10-7-9-3-2-5-21-13(9)11(19)8-10/h2-8H,1H3,(H2,20,23).
What are the key properties of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 415.68 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137423713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).