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

C23H32F3N7O3 — CID 155830417

About N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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'-[(1-methylpyrazol-4-yl)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 155830417) has the molecular formula C23H32F3N7O3 and a molecular weight of 511.55 g/mol. Its IUPAC name is N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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'-[(1-methylpyrazol-4-yl)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: 155830417
• Molecular Formula: C23H32F3N7O3
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.25
• IUPAC Name: N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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: Cn1cc(CN2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H31N7O.C2HF3O2/c1-26-13-16(12-22-26)14-27-10-8-21(9-11-27)7-6-18-24-25-19(28(18)15-21)20(29)23-17-4-2-3-5-17;3-2(4,5)1(6)7/h12-13,17H,2-11,14-15H2,1H3,(H,23,29);(H,6,7)
• InChIKey: FBDDEHYYHRZBEC-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 118.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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'-[(1-methylpyrazol-4-yl)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 155830417) is N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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'-[(1-methylpyrazol-4-yl)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'-[(1-methylpyrazol-4-yl)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 Cn1cc(CN2CCC3(CCc4nnc(C(=O)NC5CCCC5)n4C3)CC2)cn1.O=C(O)C(F)(F)F.

What is the InChIKey of N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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 FBDDEHYYHRZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O.C2HF3O2/c1-26-13-16(12-22-26)14-27-10-8-21(9-11-27)7-6-18-24-25-19(28(18)15-21)20(29)23-17-4-2-3-5-17;3-2(4,5)1(6)7/h12-13,17H,2-11,14-15H2,1H3,(H,23,29);(H,6,7).

What are the key properties of N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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'-[(1-methylpyrazol-4-yl)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 511.55 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-1'-[(1-methylpyrazol-4-yl)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 155830417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).