6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C27H25FN6O2 — CID 166523332

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166523332) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-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-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 166523332
• Molecular Formula: C27H25FN6O2
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.20
• IUPAC Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• SMILES: N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4=CCOc5cc(F)ccc54)c3c(=O)[nH]1)CC2
• InChI: InChI=1S/C27H25FN6O2/c28-16-5-6-18-19(7-12-36-20(18)13-16)22-21-24(33-32-22)30-26(31-25(21)35)34-10-8-27(9-11-34)14-15-3-1-2-4-17(15)23(27)29/h1-7,13,23H,8-12,14,29H2,(H2,30,31,32,33,35)/t23-/m1/s1
• InChIKey: OMTBWOPDQKZDIG-HSZRJFAPSA-N
• XLogP: 3.45
• TPSA: 112.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-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-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166523332) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-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-(7-fluoro-2H-chromen-4-yl)-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-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4=CCOc5cc(F)ccc54)c3c(=O)[nH]1)CC2.

What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?

The InChIKey is OMTBWOPDQKZDIG-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H25FN6O2/c28-16-5-6-18-19(7-12-36-20(18)13-16)22-21-24(33-32-22)30-26(31-25(21)35)34-10-8-27(9-11-34)14-15-3-1-2-4-17(15)23(27)29/h1-7,13,23H,8-12,14,29H2,(H2,30,31,32,33,35)/t23-/m1/s1.

What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 484.54 g/mol, XLogP of 3.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 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-(7-fluoro-2H-chromen-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).