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

C25H21ClFN7 — CID 154604507

IUPAC5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine
SMILESCn1ccc(NCCc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccc(F)cc3)nc2N)n1
InChIInChI=1S/C25H21ClFN7/c1-34-12-9-21(33-34)29-11-8-20-25(28)32-23(15-4-6-18(27)7-5-15)24(31-20)17-13-16-3-2-10-30-22(16)19(26)14-17/h2-7,9-10,12-14H,8,11H2,1H3,(H2,28,32)(H,29,33)
InChIKeyWTGLGGCGCCOYKF-UHFFFAOYSA-N
MW473.94 g/mol
LogP5.12
Rot. Bonds6

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

5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine (PubChem CID 154604507) has the molecular formula C25H21ClFN7 and a molecular weight of 473.94 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine
PubChem CID154604507
Molecular FormulaC25H21ClFN7
Molecular Weight473.94 g/mol
Exact Mass473.15
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine
SMILESCn1ccc(NCCc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccc(F)cc3)nc2N)n1
InChIInChI=1S/C25H21ClFN7/c1-34-12-9-21(33-34)29-11-8-20-25(28)32-23(15-4-6-18(27)7-5-15)24(31-20)17-13-16-3-2-10-30-22(16)19(26)14-17/h2-7,9-10,12-14H,8,11H2,1H3,(H2,28,32)(H,29,33)
InChIKeyWTGLGGCGCCOYKF-UHFFFAOYSA-N
XLogP5.12
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.94
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine (CID 154604507) is 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine is Cn1ccc(NCCc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccc(F)cc3)nc2N)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine?
The InChIKey is WTGLGGCGCCOYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN7/c1-34-12-9-21(33-34)29-11-8-20-25(28)32-23(15-4-6-18(27)7-5-15)24(31-20)17-13-16-3-2-10-30-22(16)19(26)14-17/h2-7,9-10,12-14H,8,11H2,1H3,(H2,28,32)(H,29,33).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine has a molecular weight of 473.94 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-[2-[(1-methylpyrazol-3-yl)amino]ethyl]pyrazin-2-amine is sourced from PubChem (CID 154604507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).