N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid

C25H31F4N5O3 — CID 155834040

About N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155834040) has the molecular formula C25H31F4N5O3 and a molecular weight of 525.55 g/mol. Its IUPAC name is N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155834040
• Molecular Formula: C25H31F4N5O3
• Molecular Weight: 525.55 g/mol
• Exact Mass: 525.24
• IUPAC Name: N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H30FN5O.C2HF3O2/c24-18-7-5-17(6-8-18)15-28-13-11-23(12-14-28)10-9-20-26-27-21(29(20)16-23)22(30)25-19-3-1-2-4-19;3-2(4,5)1(6)7/h5-8,19H,1-4,9-16H2,(H,25,30);(H,6,7)
• InChIKey: MUNALYZGGHJXFB-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 100.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.55
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155834040) is N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is MUNALYZGGHJXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O.C2HF3O2/c24-18-7-5-17(6-8-18)15-28-13-11-23(12-14-28)10-9-20-26-27-21(29(20)16-23)22(30)25-19-3-1-2-4-19;3-2(4,5)1(6)7/h5-8,19H,1-4,9-16H2,(H,25,30);(H,6,7).

What are the key properties of N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 525.55 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-1'-[(4-fluorophenyl)methyl]spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).