6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C27H26F2N6O — CID 166523260

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166523260) has the molecular formula C27H26F2N6O and a molecular weight of 488.54 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 166523260
• Molecular Formula: C27H26F2N6O
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.21
• IUPAC Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• SMILES: N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5ccccc5)CC4(F)F)c3c(=O)[nH]1)CC2
• InChI: InChI=1S/C27H26F2N6O/c28-27(29)15-26(27,17-7-2-1-3-8-17)21-19-22(34-33-21)31-24(32-23(19)36)35-12-10-25(11-13-35)14-16-6-4-5-9-18(16)20(25)30/h1-9,20H,10-15,30H2,(H2,31,32,33,34,36)/t20-,26?/m1/s1
• InChIKey: JKWIPPLEPORDGL-TUHVGIAZSA-N
• XLogP: 3.81
• TPSA: 103.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166523260) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5ccccc5)CC4(F)F)c3c(=O)[nH]1)CC2.

What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?

The InChIKey is JKWIPPLEPORDGL-TUHVGIAZSA-N. The full InChI is InChI=1S/C27H26F2N6O/c28-27(29)15-26(27,17-7-2-1-3-8-17)21-19-22(34-33-21)31-24(32-23(19)36)35-12-10-25(11-13-35)14-16-6-4-5-9-18(16)20(25)30/h1-9,20H,10-15,30H2,(H2,31,32,33,34,36)/t20-,26?/m1/s1.

What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 488.54 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,2-difluoro-1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).