5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C33H28ClF3N4O2 — CID 122188608

About 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 122188608) has the molecular formula C33H28ClF3N4O2 and a molecular weight of 605.06 g/mol. Its IUPAC name is 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 122188608
• Molecular Formula: C33H28ClF3N4O2
• Molecular Weight: 605.06 g/mol
• Exact Mass: 604.19
• IUPAC Name: 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1c(-c2ccccc2)nn2ccc(Cl)cc12
• InChI: InChI=1S/C33H28ClF3N4O2/c34-26-16-19-41-29(20-26)30(31(39-41)25-4-2-1-3-5-25)32(42)38-21-22-6-10-27(11-7-22)40-17-14-24(15-18-40)23-8-12-28(13-9-23)43-33(35,36)37/h1-13,16,19-20,24H,14-15,17-18,21H2,(H,38,42)
• InChIKey: BTQHYYBOFBTYCU-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.06
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 122188608) is 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1c(-c2ccccc2)nn2ccc(Cl)cc12.

What is the InChIKey of 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is BTQHYYBOFBTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClF3N4O2/c34-26-16-19-41-29(20-26)30(31(39-41)25-4-2-1-3-5-25)32(42)38-21-22-6-10-27(11-7-22)40-17-14-24(15-18-40)23-8-12-28(13-9-23)43-33(35,36)37/h1-13,16,19-20,24H,14-15,17-18,21H2,(H,38,42).

What are the key properties of 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 605.06 g/mol, XLogP of 7.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-phenyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 122188608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).