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

C24H25ClN6O — CID 137431262

IUPAC5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H25ClN6O/c1-31-11-8-19(30-31)22-21(17-13-16-7-4-10-27-20(16)18(25)14-17)29-24(23(26)28-22)32-12-9-15-5-2-3-6-15/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28)
InChIKeyABKVEBMAKKJASD-UHFFFAOYSA-N
MW448.96 g/mol
LogP5.29
Rot. Bonds6

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

5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137431262) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137431262
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H25ClN6O/c1-31-11-8-19(30-31)22-21(17-13-16-7-4-10-27-20(16)18(25)14-17)29-24(23(26)28-22)32-12-9-15-5-2-3-6-15/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28)
InChIKeyABKVEBMAKKJASD-UHFFFAOYSA-N
XLogP5.29
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.96
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137431262) is 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(OCCC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is ABKVEBMAKKJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-31-11-8-19(30-31)22-21(17-13-16-7-4-10-27-20(16)18(25)14-17)29-24(23(26)28-22)32-12-9-15-5-2-3-6-15/h4,7-8,10-11,13-15H,2-3,5-6,9,12H2,1H3,(H2,26,28).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 448.96 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137431262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).