6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline

C24H15F2N5S — CID 141370342

IUPAC6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cc4ccccc4s3)nc21
InChIInChI=1S/C24H15F2N5S/c1-13(21-16(25)10-17-15(22(21)26)6-4-8-27-17)31-12-29-23-24(31)30-18(11-28-23)20-9-14-5-2-3-7-19(14)32-20/h2-13H,1H3
InChIKeyZTRLIBTXXIULAO-UHFFFAOYSA-N
MW443.48 g/mol
LogP6.14
Rot. Bonds3

About 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline

6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline (PubChem CID 141370342) has the molecular formula C24H15F2N5S and a molecular weight of 443.48 g/mol. Its IUPAC name is 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline.

Molecular Properties

Compound Name6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
PubChem CID141370342
Molecular FormulaC24H15F2N5S
Molecular Weight443.48 g/mol
Exact Mass443.10
IUPAC Name6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cc4ccccc4s3)nc21
InChIInChI=1S/C24H15F2N5S/c1-13(21-16(25)10-17-15(22(21)26)6-4-8-27-17)31-12-29-23-24(31)30-18(11-28-23)20-9-14-5-2-3-7-19(14)32-20/h2-13H,1H3
InChIKeyZTRLIBTXXIULAO-UHFFFAOYSA-N
XLogP6.14
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
The IUPAC name of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline (CID 141370342) is 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline.
What is the SMILES notation for 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
The canonical SMILES for 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cc4ccccc4s3)nc21.
What is the InChIKey of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
The InChIKey is ZTRLIBTXXIULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N5S/c1-13(21-16(25)10-17-15(22(21)26)6-4-8-27-17)31-12-29-23-24(31)30-18(11-28-23)20-9-14-5-2-3-7-19(14)32-20/h2-13H,1H3.
What are the key properties of 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline?
6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline has a molecular weight of 443.48 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-(1-benzothiophen-2-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline is sourced from PubChem (CID 141370342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).