5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

C23H17F2N5S — CID 141370311

IUPAC5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCSc1ccc(-c2cnc3ncn(C(C)c4c(F)cc5ncccc5c4F)c3n2)cc1
InChIInChI=1S/C23H17F2N5S/c1-13(20-17(24)10-18-16(21(20)25)4-3-9-26-18)30-12-28-22-23(30)29-19(11-27-22)14-5-7-15(31-2)8-6-14/h3-13H,1-2H3
InChIKeyXSUXAHLDSVBPTE-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.65
Rot. Bonds4

About 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline

5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 141370311) has the molecular formula C23H17F2N5S and a molecular weight of 433.49 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID141370311
Molecular FormulaC23H17F2N5S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESCSc1ccc(-c2cnc3ncn(C(C)c4c(F)cc5ncccc5c4F)c3n2)cc1
InChIInChI=1S/C23H17F2N5S/c1-13(20-17(24)10-18-16(21(20)25)4-3-9-26-18)30-12-28-22-23(30)29-19(11-27-22)14-5-7-15(31-2)8-6-14/h3-13H,1-2H3
InChIKeyXSUXAHLDSVBPTE-UHFFFAOYSA-N
XLogP5.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 141370311) is 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is CSc1ccc(-c2cnc3ncn(C(C)c4c(F)cc5ncccc5c4F)c3n2)cc1.
What is the InChIKey of 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is XSUXAHLDSVBPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5S/c1-13(20-17(24)10-18-16(21(20)25)4-3-9-26-18)30-12-28-22-23(30)29-19(11-27-22)14-5-7-15(31-2)8-6-14/h3-13H,1-2H3.
What are the key properties of 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 433.49 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[1-[5-(4-methylsulfanylphenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 141370311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).