5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile

C24H19N5O2 — CID 58374801

IUPAC5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(COc2ccc(-c3cccc4nc(CC(=O)C5CC5)nn34)cc2)cn1
InChIInChI=1S/C24H19N5O2/c25-13-19-9-4-16(14-26-19)15-31-20-10-7-17(8-11-20)21-2-1-3-24-27-23(28-29(21)24)12-22(30)18-5-6-18/h1-4,7-11,14,18H,5-6,12,15H2
InChIKeyXQDMIXHWMSDBHN-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.76
Rot. Bonds7

About 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile

5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 58374801) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID58374801
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(COc2ccc(-c3cccc4nc(CC(=O)C5CC5)nn34)cc2)cn1
InChIInChI=1S/C24H19N5O2/c25-13-19-9-4-16(14-26-19)15-31-20-10-7-17(8-11-20)21-2-1-3-24-27-23(28-29(21)24)12-22(30)18-5-6-18/h1-4,7-11,14,18H,5-6,12,15H2
InChIKeyXQDMIXHWMSDBHN-UHFFFAOYSA-N
XLogP3.76
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile (CID 58374801) is 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile is N#Cc1ccc(COc2ccc(-c3cccc4nc(CC(=O)C5CC5)nn34)cc2)cn1.
What is the InChIKey of 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is XQDMIXHWMSDBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c25-13-19-9-4-16(14-26-19)15-31-20-10-7-17(8-11-20)21-2-1-3-24-27-23(28-29(21)24)12-22(30)18-5-6-18/h1-4,7-11,14,18H,5-6,12,15H2.
What are the key properties of 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile?
5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 409.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(2-cyclopropyl-2-oxoethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 58374801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).