6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline

C25H15ClF2N6 — CID 141370264

IUPAC6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccnc4cc(Cl)ccc34)nc21
InChIInChI=1S/C25H15ClF2N6/c1-13(22-18(27)10-20-17(23(22)28)3-2-7-29-20)34-12-32-24-25(34)33-21(11-31-24)16-6-8-30-19-9-14(26)4-5-15(16)19/h2-13H,1H3
InChIKeyDECLFJGYVVFOJX-UHFFFAOYSA-N
MW472.89 g/mol
LogP6.13
Rot. Bonds3

About 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline

6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline (PubChem CID 141370264) has the molecular formula C25H15ClF2N6 and a molecular weight of 472.89 g/mol. Its IUPAC name is 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline.

Molecular Properties

Compound Name6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
PubChem CID141370264
Molecular FormulaC25H15ClF2N6
Molecular Weight472.89 g/mol
Exact Mass472.10
IUPAC Name6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccnc4cc(Cl)ccc34)nc21
InChIInChI=1S/C25H15ClF2N6/c1-13(22-18(27)10-20-17(23(22)28)3-2-7-29-20)34-12-32-24-25(34)33-21(11-31-24)16-6-8-30-19-9-14(26)4-5-15(16)19/h2-13H,1H3
InChIKeyDECLFJGYVVFOJX-UHFFFAOYSA-N
XLogP6.13
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
The IUPAC name of 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline (CID 141370264) is 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline.
What is the SMILES notation for 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
The canonical SMILES for 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccnc4cc(Cl)ccc34)nc21.
What is the InChIKey of 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
The InChIKey is DECLFJGYVVFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF2N6/c1-13(22-18(27)10-20-17(23(22)28)3-2-7-29-20)34-12-32-24-25(34)33-21(11-31-24)16-6-8-30-19-9-14(26)4-5-15(16)19/h2-13H,1H3.
What are the key properties of 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline has a molecular weight of 472.89 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-(7-chloroquinolin-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline is sourced from PubChem (CID 141370264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).