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

C18H12ClF3N6O — CID 137431193

IUPAC5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H12ClF3N6O/c1-28-6-4-12(27-28)15-14(26-17(16(23)25-15)29-18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10/h2-8H,1H3,(H2,23,25)
InChIKeyMVTFYTNVTVVMMT-UHFFFAOYSA-N
MW420.78 g/mol
LogP4.23
Rot. Bonds3

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

5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine (PubChem CID 137431193) has the molecular formula C18H12ClF3N6O and a molecular weight of 420.78 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine
PubChem CID137431193
Molecular FormulaC18H12ClF3N6O
Molecular Weight420.78 g/mol
Exact Mass420.07
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H12ClF3N6O/c1-28-6-4-12(27-28)15-14(26-17(16(23)25-15)29-18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10/h2-8H,1H3,(H2,23,25)
InChIKeyMVTFYTNVTVVMMT-UHFFFAOYSA-N
XLogP4.23
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.78
LogP ≤ 54.23
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)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine (CID 137431193) is 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine?
The InChIKey is MVTFYTNVTVVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N6O/c1-28-6-4-12(27-28)15-14(26-17(16(23)25-15)29-18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10/h2-8H,1H3,(H2,23,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine has a molecular weight of 420.78 g/mol, XLogP of 4.23, 3 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)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine is sourced from PubChem (CID 137431193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).