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

C22H17N5O — CID 71571787

IUPAC5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cccnc3)n12
InChIInChI=1S/C22H17N5O/c28-22-26(14-12-18-11-10-16-5-1-2-7-19(16)24-18)25-21-9-3-8-20(27(21)22)17-6-4-13-23-15-17/h1-11,13,15H,12,14H2
InChIKeyRNLURMNZEAZXJG-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.35
Rot. Bonds4

About 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71571787) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71571787
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cccnc3)n12
InChIInChI=1S/C22H17N5O/c28-22-26(14-12-18-11-10-16-5-1-2-7-19(16)24-18)25-21-9-3-8-20(27(21)22)17-6-4-13-23-15-17/h1-11,13,15H,12,14H2
InChIKeyRNLURMNZEAZXJG-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

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71571787) is 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCc2ccc3ccccc3n2)nc2cccc(-c3cccnc3)n12.
What is the InChIKey of 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RNLURMNZEAZXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22-26(14-12-18-11-10-16-5-1-2-7-19(16)24-18)25-21-9-3-8-20(27(21)22)17-6-4-13-23-15-17/h1-11,13,15H,12,14H2.
What are the key properties of 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
5-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 5-pyridin-3-yl-2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71571787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).