1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H23N3OS — CID 56887580

About 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56887580) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

• Compound Name: 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
• PubChem CID: 56887580
• Molecular Formula: C21H23N3OS
• Molecular Weight: 365.50 g/mol
• Exact Mass: 365.16
• IUPAC Name: 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
• SMILES: OC1Cc2ccccc2C12CCN(Cc1ccc(-c3ccn[nH]3)s1)CC2
• InChI: InChI=1S/C21H23N3OS/c25-20-13-15-3-1-2-4-17(15)21(20)8-11-24(12-9-21)14-16-5-6-19(26-16)18-7-10-22-23-18/h1-7,10,20,25H,8-9,11-14H2,(H,22,23)
• InChIKey: FSBLMKVIWDFMPJ-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 52.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?

The IUPAC name of 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56887580) is 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

What is the SMILES notation for 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?

The canonical SMILES for 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is OC1Cc2ccccc2C12CCN(Cc1ccc(-c3ccn[nH]3)s1)CC2.

What is the InChIKey of 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?

The InChIKey is FSBLMKVIWDFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-20-13-15-3-1-2-4-17(15)21(20)8-11-24(12-9-21)14-16-5-6-19(26-16)18-7-10-22-23-18/h1-7,10,20,25H,8-9,11-14H2,(H,22,23).

What are the key properties of 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?

1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 365.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56887580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).