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

C20H15N5S — CID 58514910

IUPAC6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)s1
InChIInChI=1S/C20H15N5S/c1-13-4-9-19(26-13)17-7-8-18-20(22-17)25(24-23-18)12-14-5-6-16-15(11-14)3-2-10-21-16/h2-11H,12H2,1H3
InChIKeyQALNKKMNDHKQFK-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.46
Rot. Bonds3

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

6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 58514910) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID58514910
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)s1
InChIInChI=1S/C20H15N5S/c1-13-4-9-19(26-13)17-7-8-18-20(22-17)25(24-23-18)12-14-5-6-16-15(11-14)3-2-10-21-16/h2-11H,12H2,1H3
InChIKeyQALNKKMNDHKQFK-UHFFFAOYSA-N
XLogP4.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 58514910) is 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is Cc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)s1.
What is the InChIKey of 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is QALNKKMNDHKQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c1-13-4-9-19(26-13)17-7-8-18-20(22-17)25(24-23-18)12-14-5-6-16-15(11-14)3-2-10-21-16/h2-11H,12H2,1H3.
What are the key properties of 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 357.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 58514910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).