6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C22H17N5O — CID 71571669

IUPAC6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCc2ccc3ccccc3n2)nc2ccc(-c3cccnc3)cn12
InChIInChI=1S/C22H17N5O/c28-22-26-15-18(17-5-3-12-23-14-17)8-10-21(26)25-27(22)13-11-19-9-7-16-4-1-2-6-20(16)24-19/h1-10,12,14-15H,11,13H2
InChIKeyAMUGJMMEPYZIMN-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.35
Rot. Bonds4

About 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71571669) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71571669
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCc2ccc3ccccc3n2)nc2ccc(-c3cccnc3)cn12
InChIInChI=1S/C22H17N5O/c28-22-26-15-18(17-5-3-12-23-14-17)8-10-21(26)25-27(22)13-11-19-9-7-16-4-1-2-6-20(16)24-19/h1-10,12,14-15H,11,13H2
InChIKeyAMUGJMMEPYZIMN-UHFFFAOYSA-N
XLogP3.35
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71571669) is 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCc2ccc3ccccc3n2)nc2ccc(-c3cccnc3)cn12.
What is the InChIKey of 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AMUGJMMEPYZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22-26-15-18(17-5-3-12-23-14-17)8-10-21(26)25-27(22)13-11-19-9-7-16-4-1-2-6-20(16)24-19/h1-10,12,14-15H,11,13H2.
What are the key properties of 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 367.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71571669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).