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

C28H30N6O2 — CID 166823250

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

3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823250) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 166823250
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: 3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• SMILES: C=C(c1cccnc1OCC)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4C)[nH]c(=O)c12
• InChI: InChI=1S/C28H30N6O2/c1-4-36-26-20(10-7-13-29-26)17(2)23-22-24(33-32-23)30-27(31-25(22)35)34-14-11-28(12-15-34)16-19-8-5-6-9-21(19)18(28)3/h5-10,13,18H,2,4,11-12,14-16H2,1,3H3,(H2,30,31,32,33,35)/t18-/m1/s1
• InChIKey: ZSVNZYQJFTYSRU-GOSISDBHSA-N
• XLogP: 4.45
• TPSA: 99.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166823250) is 3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is C=C(c1cccnc1OCC)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4C)[nH]c(=O)c12.

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

The InChIKey is ZSVNZYQJFTYSRU-GOSISDBHSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-4-36-26-20(10-7-13-29-26)17(2)23-22-24(33-32-23)30-27(31-25(22)35)34-14-11-28(12-15-34)16-19-8-5-6-9-21(19)18(28)3/h5-10,13,18H,2,4,11-12,14-16H2,1,3H3,(H2,30,31,32,33,35)/t18-/m1/s1.

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

3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 482.59 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-ethoxy-3-pyridinyl)ethenyl]-6-[(1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).