6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline

C22H14Cl2FN5 — CID 86566424

IUPAC6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C22H14Cl2FN5/c1-12(15-7-14-3-2-6-26-20(14)18(25)9-15)30-11-28-21-22(30)29-19(10-27-21)13-4-5-16(23)17(24)8-13/h2-12H,1H3
InChIKeyYIJAMXDHOGSMMO-UHFFFAOYSA-N
MW438.29 g/mol
LogP6.10
Rot. Bonds3

About 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline

6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline (PubChem CID 86566424) has the molecular formula C22H14Cl2FN5 and a molecular weight of 438.29 g/mol. Its IUPAC name is 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline.

Molecular Properties

Compound Name6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline
PubChem CID86566424
Molecular FormulaC22H14Cl2FN5
Molecular Weight438.29 g/mol
Exact Mass437.06
IUPAC Name6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C22H14Cl2FN5/c1-12(15-7-14-3-2-6-26-20(14)18(25)9-15)30-11-28-21-22(30)29-19(10-27-21)13-4-5-16(23)17(24)8-13/h2-12H,1H3
InChIKeyYIJAMXDHOGSMMO-UHFFFAOYSA-N
XLogP6.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.29
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline?
The IUPAC name of 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline (CID 86566424) is 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline.
What is the SMILES notation for 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline?
The canonical SMILES for 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline is CC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccc(Cl)c(Cl)c3)nc21.
What is the InChIKey of 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline?
The InChIKey is YIJAMXDHOGSMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN5/c1-12(15-7-14-3-2-6-26-20(14)18(25)9-15)30-11-28-21-22(30)29-19(10-27-21)13-4-5-16(23)17(24)8-13/h2-12H,1H3.
What are the key properties of 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline?
6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline has a molecular weight of 438.29 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-(3,4-dichlorophenyl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-8-fluoroquinoline is sourced from PubChem (CID 86566424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).