tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

C23H26ClF3N6O6 — CID 169101506

About tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate (PubChem CID 169101506) has the molecular formula C23H26ClF3N6O6 and a molecular weight of 574.94 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
• PubChem CID: 169101506
• Molecular Formula: C23H26ClF3N6O6
• Molecular Weight: 574.94 g/mol
• Exact Mass: 574.16
• IUPAC Name: tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc3cc(Cl)ccn3n2)CC[C@@H]1c1nnc(OCCOC(F)(F)F)o1
• InChI: InChI=1S/C23H26ClF3N6O6/c1-22(2,3)39-21(35)32-12-14(28-18(34)16-11-15-10-13(24)6-7-33(15)31-16)4-5-17(32)19-29-30-20(38-19)36-8-9-37-23(25,26)27/h6-7,10-11,14,17H,4-5,8-9,12H2,1-3H3,(H,28,34)/t14-,17+/m0/s1
• InChIKey: BVTLVSGCUTWMHP-WMLDXEAASA-N
• XLogP: 4.16
• TPSA: 133.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.94
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate (CID 169101506) is tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc3cc(Cl)ccn3n2)CC[C@@H]1c1nnc(OCCOC(F)(F)F)o1.

What is the InChIKey of tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?

The InChIKey is BVTLVSGCUTWMHP-WMLDXEAASA-N. The full InChI is InChI=1S/C23H26ClF3N6O6/c1-22(2,3)39-21(35)32-12-14(28-18(34)16-11-15-10-13(24)6-7-33(15)31-16)4-5-17(32)19-29-30-20(38-19)36-8-9-37-23(25,26)27/h6-7,10-11,14,17H,4-5,8-9,12H2,1-3H3,(H,28,34)/t14-,17+/m0/s1.

What are the key properties of tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?

tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 574.94 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 169101506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).