(1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)

C26H32F6N4O5 — CID 171686503

About (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)

(1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171686503) has the molecular formula C26H32F6N4O5 and a molecular weight of 594.55 g/mol. Its IUPAC name is (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171686503
• Molecular Formula: C26H32F6N4O5
• Molecular Weight: 594.55 g/mol
• Exact Mass: 594.23
• IUPAC Name: (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N2CCCC2)[C@@H]3O)n[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H30N4O.2C2HF3O2/c1-16-14-17(24-23-16)15-25-12-8-22(9-13-25)19-7-3-2-6-18(19)20(21(22)27)26-10-4-5-11-26;2*3-2(4,5)1(6)7/h2-3,6-7,14,20-21,27H,4-5,8-13,15H2,1H3,(H,23,24);2*(H,6,7)/t20-,21+;;/m1../s1
• InChIKey: FIXQJVRPUHDZAE-KMDCRFISSA-N
• XLogP: 4.03
• TPSA: 129.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.55
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid) (CID 171686503) is (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid) is Cc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N2CCCC2)[C@@H]3O)n[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is FIXQJVRPUHDZAE-KMDCRFISSA-N. The full InChI is InChI=1S/C22H30N4O.2C2HF3O2/c1-16-14-17(24-23-16)15-25-12-8-22(9-13-25)19-7-3-2-6-18(19)20(21(22)27)26-10-4-5-11-26;2*3-2(4,5)1(6)7/h2-3,6-7,14,20-21,27H,4-5,8-13,15H2,1H3,(H,23,24);2*(H,6,7)/t20-,21+;;/m1../s1.

What are the key properties of (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)?

(1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 594.55 g/mol, XLogP of 4.03, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-1'-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171686503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).