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

C28H30N6O — CID 166523327

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

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166523327) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 166523327
• Molecular Formula: C28H30N6O
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.25
• IUPAC Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
• SMILES: Cn1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc2n[nH]c(C3(c4ccccc4)CC3)c2c1=O
• InChI: InChI=1S/C28H30N6O/c1-33-25(35)21-23(28(11-12-28)19-8-3-2-4-9-19)31-32-24(21)30-26(33)34-15-13-27(14-16-34)17-18-7-5-6-10-20(18)22(27)29/h2-10,22H,11-17,29H2,1H3,(H,31,32)/t22-/m1/s1
• InChIKey: DPZVGZSFXLJWTA-JOCHJYFZSA-N
• XLogP: 3.58
• TPSA: 92.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
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]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?

The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 166523327) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one is Cn1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc2n[nH]c(C3(c4ccccc4)CC3)c2c1=O.

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

The InChIKey is DPZVGZSFXLJWTA-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H30N6O/c1-33-25(35)21-23(28(11-12-28)19-8-3-2-4-9-19)31-32-24(21)30-26(33)34-15-13-27(14-16-34)17-18-7-5-6-10-20(18)22(27)29/h2-10,22H,11-17,29H2,1H3,(H,31,32)/t22-/m1/s1.

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

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 466.59 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 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]-5-methyl-3-(1-phenylcyclopropyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).