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

C24H18ClFN6S — CID 137431275

IUPAC5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(SCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H18ClFN6S/c1-32-10-8-19(31-32)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)30-24(23(27)29-22)33-13-14-4-6-17(26)7-5-14/h2-12H,13H2,1H3,(H2,27,29)
InChIKeyOJNOEHFNEUWCRZ-UHFFFAOYSA-N
MW476.97 g/mol
LogP5.76
Rot. Bonds5

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

5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137431275) has the molecular formula C24H18ClFN6S and a molecular weight of 476.97 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137431275
Molecular FormulaC24H18ClFN6S
Molecular Weight476.97 g/mol
Exact Mass476.10
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(SCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H18ClFN6S/c1-32-10-8-19(31-32)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)30-24(23(27)29-22)33-13-14-4-6-17(26)7-5-14/h2-12H,13H2,1H3,(H2,27,29)
InChIKeyOJNOEHFNEUWCRZ-UHFFFAOYSA-N
XLogP5.76
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.97
LogP ≤ 55.76
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-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137431275) is 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(SCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is OJNOEHFNEUWCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6S/c1-32-10-8-19(31-32)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)30-24(23(27)29-22)33-13-14-4-6-17(26)7-5-14/h2-12H,13H2,1H3,(H2,27,29).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 476.97 g/mol, XLogP of 5.76, 5 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-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137431275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).