6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

C21H14FN5 — CID 54670606

IUPAC6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESFc1cccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C21H14FN5/c22-17-5-1-3-16(12-17)19-8-9-20-21(24-19)27(26-25-20)13-14-6-7-18-15(11-14)4-2-10-23-18/h1-12H,13H2
InChIKeyYCCLLHLUMLLEID-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.23
Rot. Bonds3

About 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 54670606) has the molecular formula C21H14FN5 and a molecular weight of 355.38 g/mol. Its IUPAC name is 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID54670606
Molecular FormulaC21H14FN5
Molecular Weight355.38 g/mol
Exact Mass355.12
IUPAC Name6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESFc1cccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C21H14FN5/c22-17-5-1-3-16(12-17)19-8-9-20-21(24-19)27(26-25-20)13-14-6-7-18-15(11-14)4-2-10-23-18/h1-12H,13H2
InChIKeyYCCLLHLUMLLEID-UHFFFAOYSA-N
XLogP4.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 54670606) is 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is Fc1cccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.
What is the InChIKey of 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is YCCLLHLUMLLEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5/c22-17-5-1-3-16(12-17)19-8-9-20-21(24-19)27(26-25-20)13-14-6-7-18-15(11-14)4-2-10-23-18/h1-12H,13H2.
What are the key properties of 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 355.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 54670606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).