5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C24H26ClN7S — CID 137431274

IUPAC5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCN1CCC(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1
InChIInChI=1S/C24H26ClN7S/c1-31-9-5-15(6-10-31)14-33-24-23(26)28-22(19-7-11-32(2)30-19)21(29-24)17-12-16-4-3-8-27-20(16)18(25)13-17/h3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,26,28)
InChIKeyLERIBTJWMWDPBI-UHFFFAOYSA-N
MW480.04 g/mol
LogP4.76
Rot. Bonds5

About 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137431274) has the molecular formula C24H26ClN7S and a molecular weight of 480.04 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137431274
Molecular FormulaC24H26ClN7S
Molecular Weight480.04 g/mol
Exact Mass479.17
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCN1CCC(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1
InChIInChI=1S/C24H26ClN7S/c1-31-9-5-15(6-10-31)14-33-24-23(26)28-22(19-7-11-32(2)30-19)21(29-24)17-12-16-4-3-8-27-20(16)18(25)13-17/h3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,26,28)
InChIKeyLERIBTJWMWDPBI-UHFFFAOYSA-N
XLogP4.76
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.04
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137431274) is 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is CN1CCC(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is LERIBTJWMWDPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7S/c1-31-9-5-15(6-10-31)14-33-24-23(26)28-22(19-7-11-32(2)30-19)21(29-24)17-12-16-4-3-8-27-20(16)18(25)13-17/h3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,26,28).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 480.04 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137431274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).