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6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

C25H22FN5O — CID 54670881

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCC(C)COc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C25H22FN5O/c1-16(2)15-32-24-10-6-19(13-20(24)26)22-8-9-23-25(28-22)31(30-29-23)14-17-5-7-21-18(12-17)4-3-11-27-21/h3-13,16H,14-15H2,1-2H3
InChIKeyFNZWPWVGNLXRLO-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.26
Rot. Bonds6

About 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 54670881) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID54670881
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCC(C)COc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C25H22FN5O/c1-16(2)15-32-24-10-6-19(13-20(24)26)22-8-9-23-25(28-22)31(30-29-23)14-17-5-7-21-18(12-17)4-3-11-27-21/h3-13,16H,14-15H2,1-2H3
InChIKeyFNZWPWVGNLXRLO-UHFFFAOYSA-N
XLogP5.26
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 54670881) is 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is CC(C)COc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.
What is the InChIKey of 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is FNZWPWVGNLXRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-16(2)15-32-24-10-6-19(13-20(24)26)22-8-9-23-25(28-22)31(30-29-23)14-17-5-7-21-18(12-17)4-3-11-27-21/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 427.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 54670881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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