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

C16H10ClFN6 — CID 137430848

IUPAC5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(F)n2)n1
InChIInChI=1S/C16H10ClFN6/c17-11-7-10(6-9-2-1-4-20-14(9)11)15-16(22-13(19)8-21-15)24-5-3-12(18)23-24/h1-8H,(H2,19,22)
InChIKeyHCCHFLLAGVPGSC-UHFFFAOYSA-N
MW340.75 g/mol
LogP3.25
Rot. Bonds2

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

5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine (PubChem CID 137430848) has the molecular formula C16H10ClFN6 and a molecular weight of 340.75 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine
PubChem CID137430848
Molecular FormulaC16H10ClFN6
Molecular Weight340.75 g/mol
Exact Mass340.06
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine
SMILESNc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(F)n2)n1
InChIInChI=1S/C16H10ClFN6/c17-11-7-10(6-9-2-1-4-20-14(9)11)15-16(22-13(19)8-21-15)24-5-3-12(18)23-24/h1-8H,(H2,19,22)
InChIKeyHCCHFLLAGVPGSC-UHFFFAOYSA-N
XLogP3.25
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 53.25
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-fluoropyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine (CID 137430848) is 5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine is Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(F)n2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine?
The InChIKey is HCCHFLLAGVPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN6/c17-11-7-10(6-9-2-1-4-20-14(9)11)15-16(22-13(19)8-21-15)24-5-3-12(18)23-24/h1-8H,(H2,19,22).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(3-fluoropyrazol-1-yl)pyrazin-2-amine has a molecular weight of 340.75 g/mol, XLogP of 3.25, 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-fluoropyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 137430848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).