5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline

C23H16F2N8O — CID 141456402

IUPAC5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccco3)nc21
InChIInChI=1S/C23H16F2N8O/c1-12(33-23-22(30-31-33)27-10-18(29-23)19-4-3-5-34-19)20-16(24)7-17-15(21(20)25)6-13(8-26-17)14-9-28-32(2)11-14/h3-12H,1-2H3
InChIKeyZGESEVLUTFWSRV-UHFFFAOYSA-N
MW458.43 g/mol
LogP4.32
Rot. Bonds4

About 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline

5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline (PubChem CID 141456402) has the molecular formula C23H16F2N8O and a molecular weight of 458.43 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline
PubChem CID141456402
Molecular FormulaC23H16F2N8O
Molecular Weight458.43 g/mol
Exact Mass458.14
IUPAC Name5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccco3)nc21
InChIInChI=1S/C23H16F2N8O/c1-12(33-23-22(30-31-33)27-10-18(29-23)19-4-3-5-34-19)20-16(24)7-17-15(21(20)25)6-13(8-26-17)14-9-28-32(2)11-14/h3-12H,1-2H3
InChIKeyZGESEVLUTFWSRV-UHFFFAOYSA-N
XLogP4.32
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline (CID 141456402) is 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline is CC(c1c(F)cc2ncc(-c3cnn(C)c3)cc2c1F)n1nnc2ncc(-c3ccco3)nc21.
What is the InChIKey of 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is ZGESEVLUTFWSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N8O/c1-12(33-23-22(30-31-33)27-10-18(29-23)19-4-3-5-34-19)20-16(24)7-17-15(21(20)25)6-13(8-26-17)14-9-28-32(2)11-14/h3-12H,1-2H3.
What are the key properties of 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline?
5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 458.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[1-[5-(furan-2-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 141456402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).