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

C22H15F2N5 — CID 86566539

IUPAC5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccccc3)nc21
InChIInChI=1S/C22H15F2N5/c1-13(19-16(23)10-17-15(20(19)24)8-5-9-25-17)29-12-27-21-22(29)28-18(11-26-21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyHBFPTPFSHAGLLJ-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.93
Rot. Bonds3

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

5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566539) has the molecular formula C22H15F2N5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566539
Molecular FormulaC22H15F2N5
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccccc3)nc21
InChIInChI=1S/C22H15F2N5/c1-13(19-16(23)10-17-15(20(19)24)8-5-9-25-17)29-12-27-21-22(29)28-18(11-26-21)14-6-3-2-4-7-14/h2-13H,1H3
InChIKeyHBFPTPFSHAGLLJ-UHFFFAOYSA-N
XLogP4.93
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566539) is 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccccc3)nc21.
What is the InChIKey of 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is HBFPTPFSHAGLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5/c1-13(19-16(23)10-17-15(20(19)24)8-5-9-25-17)29-12-27-21-22(29)28-18(11-26-21)14-6-3-2-4-7-14/h2-13H,1H3.
What are the key properties of 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 387.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).