6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

C24H32N6OS — CID 166823244

About 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823244) has the molecular formula C24H32N6OS and a molecular weight of 452.63 g/mol. Its IUPAC name is 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 166823244
• Molecular Formula: C24H32N6OS
• Molecular Weight: 452.63 g/mol
• Exact Mass: 452.24
• IUPAC Name: 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
• SMILES: Cc1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3C4NSC(C)(C)C)n(C)c(=O)c12
• InChI: InChI=1S/C24H32N6OS/c1-15-18-20(27-26-15)25-22(29(5)21(18)31)30-12-10-24(11-13-30)14-16-8-6-7-9-17(16)19(24)28-32-23(2,3)4/h6-9,19,28H,10-14H2,1-5H3,(H,26,27)
• InChIKey: ZNSKIQFYDKCVKK-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 78.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.63
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 166823244) is 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is Cc1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3C4NSC(C)(C)C)n(C)c(=O)c12.

What is the InChIKey of 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The InChIKey is ZNSKIQFYDKCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6OS/c1-15-18-20(27-26-15)25-22(29(5)21(18)31)30-12-10-24(11-13-30)14-16-8-6-7-9-17(16)19(24)28-32-23(2,3)4/h6-9,19,28H,10-14H2,1-5H3,(H,26,27).

What are the key properties of 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?

6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 452.63 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3,5-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).