2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide

C22H19ClN6O — CID 165414893

IUPAC2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCC2)c1
InChIInChI=1S/C22H19ClN6O/c23-18-12-16(13-19(25-18)28-9-4-5-10-28)22(30)24-17-8-11-29-20(14-17)26-21(27-29)15-6-2-1-3-7-15/h1-3,6-8,11-14H,4-5,9-10H2,(H,24,30)
InChIKeyMEQGSYFWZWKCNR-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.30
Rot. Bonds4

About 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide

2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 165414893) has the molecular formula C22H19ClN6O and a molecular weight of 418.89 g/mol. Its IUPAC name is 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID165414893
Molecular FormulaC22H19ClN6O
Molecular Weight418.89 g/mol
Exact Mass418.13
IUPAC Name2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCC2)c1
InChIInChI=1S/C22H19ClN6O/c23-18-12-16(13-19(25-18)28-9-4-5-10-28)22(30)24-17-8-11-29-20(14-17)26-21(27-29)15-6-2-1-3-7-15/h1-3,6-8,11-14H,4-5,9-10H2,(H,24,30)
InChIKeyMEQGSYFWZWKCNR-UHFFFAOYSA-N
XLogP4.30
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide (CID 165414893) is 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide is O=C(Nc1ccn2nc(-c3ccccc3)nc2c1)c1cc(Cl)nc(N2CCCC2)c1.
What is the InChIKey of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is MEQGSYFWZWKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O/c23-18-12-16(13-19(25-18)28-9-4-5-10-28)22(30)24-17-8-11-29-20(14-17)26-21(27-29)15-6-2-1-3-7-15/h1-3,6-8,11-14H,4-5,9-10H2,(H,24,30).
What are the key properties of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide?
2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 418.89 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 165414893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).