5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine

C17H10ClF3N6 — CID 137423679

IUPAC5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C17H10ClF3N6/c18-11-7-10(6-9-2-1-4-23-14(9)11)15-16(25-13(22)8-24-15)27-5-3-12(26-27)17(19,20)21/h1-8H,(H2,22,25)
InChIKeyQQKMGLDTODXFRY-UHFFFAOYSA-N
MW390.76 g/mol
LogP4.13
Rot. Bonds2

About 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine (PubChem CID 137423679) has the molecular formula C17H10ClF3N6 and a molecular weight of 390.76 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
PubChem CID137423679
Molecular FormulaC17H10ClF3N6
Molecular Weight390.76 g/mol
Exact Mass390.06
IUPAC Name5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C17H10ClF3N6/c18-11-7-10(6-9-2-1-4-23-14(9)11)15-16(25-13(22)8-24-15)27-5-3-12(26-27)17(19,20)21/h1-8H,(H2,22,25)
InChIKeyQQKMGLDTODXFRY-UHFFFAOYSA-N
XLogP4.13
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.76
LogP ≤ 54.13
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)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine (CID 137423679) is 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine is Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
The InChIKey is QQKMGLDTODXFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N6/c18-11-7-10(6-9-2-1-4-23-14(9)11)15-16(25-13(22)8-24-15)27-5-3-12(26-27)17(19,20)21/h1-8H,(H2,22,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine has a molecular weight of 390.76 g/mol, XLogP of 4.13, 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)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine is sourced from PubChem (CID 137423679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).