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

C21H14F2N6 — CID 86566540

IUPAC5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccncc3)nc21
InChIInChI=1S/C21H14F2N6/c1-12(18-15(22)9-16-14(19(18)23)3-2-6-25-16)29-11-27-20-21(29)28-17(10-26-20)13-4-7-24-8-5-13/h2-12H,1H3
InChIKeyDPAWGWHSNRTNEP-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.32
Rot. Bonds3

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

5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566540) has the molecular formula C21H14F2N6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566540
Molecular FormulaC21H14F2N6
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC Name5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccncc3)nc21
InChIInChI=1S/C21H14F2N6/c1-12(18-15(22)9-16-14(19(18)23)3-2-6-25-16)29-11-27-20-21(29)28-17(10-26-20)13-4-7-24-8-5-13/h2-12H,1H3
InChIKeyDPAWGWHSNRTNEP-UHFFFAOYSA-N
XLogP4.32
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566540) is 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccncc3)nc21.
What is the InChIKey of 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is DPAWGWHSNRTNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6/c1-12(18-15(22)9-16-14(19(18)23)3-2-6-25-16)29-11-27-20-21(29)28-17(10-26-20)13-4-7-24-8-5-13/h2-12H,1H3.
What are the key properties of 5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
5,7-difluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 388.38 g/mol, XLogP of 4.32, 3 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-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).