5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

C21H15ClF4N6O2 — CID 150943548

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 150943548) has the molecular formula C21H15ClF4N6O2 and a molecular weight of 494.84 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• PubChem CID: 150943548
• Molecular Formula: C21H15ClF4N6O2
• Molecular Weight: 494.84 g/mol
• Exact Mass: 494.09
• IUPAC Name: 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
• SMILES: C[C@H](NC(=O)c1cnc(Cl)c(-c2ccn3nc(N)nc3c2)c1)c1cc(OC(F)(F)F)ccc1F
• InChI: InChI=1S/C21H15ClF4N6O2/c1-10(14-8-13(2-3-16(14)23)34-21(24,25)26)29-19(33)12-6-15(18(22)28-9-12)11-4-5-32-17(7-11)30-20(27)31-32/h2-10H,1H3,(H2,27,31)(H,29,33)/t10-/m0/s1
• InChIKey: LIOILPGZIMYGLX-JTQLQIEISA-N
• XLogP: 4.56
• TPSA: 107.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.84
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide (CID 150943548) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cnc(Cl)c(-c2ccn3nc(N)nc3c2)c1)c1cc(OC(F)(F)F)ccc1F.

What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

The InChIKey is LIOILPGZIMYGLX-JTQLQIEISA-N. The full InChI is InChI=1S/C21H15ClF4N6O2/c1-10(14-8-13(2-3-16(14)23)34-21(24,25)26)29-19(33)12-6-15(18(22)28-9-12)11-4-5-32-17(7-11)30-20(27)31-32/h2-10H,1H3,(H2,27,31)(H,29,33)/t10-/m0/s1.

What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide?

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 494.84 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-N-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 150943548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).