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

C17H12ClFN6 — CID 137431194

IUPAC5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(F)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C17H12ClFN6/c1-25-6-4-12(24-25)15-14(22-16(19)17(20)23-15)10-7-9-3-2-5-21-13(9)11(18)8-10/h2-8H,1H3,(H2,20,23)
InChIKeyXBIQNVLYFVZQTF-UHFFFAOYSA-N
MW354.78 g/mol
LogP3.47
Rot. Bonds2

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

5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137431194) has the molecular formula C17H12ClFN6 and a molecular weight of 354.78 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137431194
Molecular FormulaC17H12ClFN6
Molecular Weight354.78 g/mol
Exact Mass354.08
IUPAC Name5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(F)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C17H12ClFN6/c1-25-6-4-12(24-25)15-14(22-16(19)17(20)23-15)10-7-9-3-2-5-21-13(9)11(18)8-10/h2-8H,1H3,(H2,20,23)
InChIKeyXBIQNVLYFVZQTF-UHFFFAOYSA-N
XLogP3.47
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137431194) is 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(F)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is XBIQNVLYFVZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6/c1-25-6-4-12(24-25)15-14(22-16(19)17(20)23-15)10-7-9-3-2-5-21-13(9)11(18)8-10/h2-8H,1H3,(H2,20,23).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 354.78 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137431194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).