5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C23H19ClN4O — CID 23151473

IUPAC5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1c(-c2ccccc2)c(Cl)n2nc(CCOCc3ccccc3)nc2c1C#N
InChIInChI=1S/C23H19ClN4O/c1-16-19(14-25)23-26-20(12-13-29-15-17-8-4-2-5-9-17)27-28(23)22(24)21(16)18-10-6-3-7-11-18/h2-11H,12-13,15H2,1H3
InChIKeyKJKHAEZQWSDHAF-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.99
Rot. Bonds6

About 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 23151473) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID23151473
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1c(-c2ccccc2)c(Cl)n2nc(CCOCc3ccccc3)nc2c1C#N
InChIInChI=1S/C23H19ClN4O/c1-16-19(14-25)23-26-20(12-13-29-15-17-8-4-2-5-9-17)27-28(23)22(24)21(16)18-10-6-3-7-11-18/h2-11H,12-13,15H2,1H3
InChIKeyKJKHAEZQWSDHAF-UHFFFAOYSA-N
XLogP4.99
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 23151473) is 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is Cc1c(-c2ccccc2)c(Cl)n2nc(CCOCc3ccccc3)nc2c1C#N.
What is the InChIKey of 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is KJKHAEZQWSDHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-16-19(14-25)23-26-20(12-13-29-15-17-8-4-2-5-9-17)27-28(23)22(24)21(16)18-10-6-3-7-11-18/h2-11H,12-13,15H2,1H3.
What are the key properties of 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 402.89 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-6-phenyl-2-(2-phenylmethoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23151473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).