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

C24H16FN5S — CID 141370307

IUPAC6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3csc4ccccc34)nc21
InChIInChI=1S/C24H16FN5S/c1-14(17-9-15-5-4-8-26-20(15)10-19(17)25)30-13-28-23-24(30)29-21(11-27-23)18-12-31-22-7-3-2-6-16(18)22/h2-14H,1H3
InChIKeyZLTAQLLJFXVLSB-UHFFFAOYSA-N
MW425.49 g/mol
LogP6.00
Rot. Bonds3

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

6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline (PubChem CID 141370307) has the molecular formula C24H16FN5S and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline.

Molecular Properties

Compound Name6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
PubChem CID141370307
Molecular FormulaC24H16FN5S
Molecular Weight425.49 g/mol
Exact Mass425.11
IUPAC Name6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3csc4ccccc34)nc21
InChIInChI=1S/C24H16FN5S/c1-14(17-9-15-5-4-8-26-20(15)10-19(17)25)30-13-28-23-24(30)29-21(11-27-23)18-12-31-22-7-3-2-6-16(18)22/h2-14H,1H3
InChIKeyZLTAQLLJFXVLSB-UHFFFAOYSA-N
XLogP6.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.00
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-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
The IUPAC name of 6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline (CID 141370307) is 6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline.
What is the SMILES notation for 6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
The canonical SMILES for 6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline is CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3csc4ccccc34)nc21.
What is the InChIKey of 6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
The InChIKey is ZLTAQLLJFXVLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5S/c1-14(17-9-15-5-4-8-26-20(15)10-19(17)25)30-13-28-23-24(30)29-21(11-27-23)18-12-31-22-7-3-2-6-16(18)22/h2-14H,1H3.
What are the key properties of 6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline?
6-[1-[5-(1-benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline has a molecular weight of 425.49 g/mol, XLogP of 6.00, 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-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline is sourced from PubChem (CID 141370307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).