6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C26H27N7O2 — CID 166823372

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823372) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-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-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 166823372
• Molecular Formula: C26H27N7O2
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.22
• IUPAC Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• SMILES: C=C(c1cccn(C)c1=O)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
• InChI: InChI=1S/C26H27N7O2/c1-15(17-8-5-11-32(2)24(17)35)20-19-22(31-30-20)28-25(29-23(19)34)33-12-9-26(10-13-33)14-16-6-3-4-7-18(16)21(26)27/h3-8,11,21H,1,9-10,12-14,27H2,2H3,(H2,28,29,30,31,34)/t21-/m1/s1
• InChIKey: AOBHCZCKZLTTHN-OAQYLSRUSA-N
• XLogP: 2.25
• TPSA: 125.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-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-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166823372) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-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-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-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-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is C=C(c1cccn(C)c1=O)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12.

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

The InChIKey is AOBHCZCKZLTTHN-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-15(17-8-5-11-32(2)24(17)35)20-19-22(31-30-20)28-25(29-23(19)34)33-12-9-26(10-13-33)14-16-6-3-4-7-18(16)21(26)27/h3-8,11,21H,1,9-10,12-14,27H2,2H3,(H2,28,29,30,31,34)/t21-/m1/s1.

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

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 469.55 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 7 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-[1-(1-methyl-2-oxo-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).