N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C32H38N6O2S — CID 166885255

About N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 166885255) has the molecular formula C32H38N6O2S and a molecular weight of 570.76 g/mol. Its IUPAC name is N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 166885255
• Molecular Formula: C32H38N6O2S
• Molecular Weight: 570.76 g/mol
• Exact Mass: 570.28
• IUPAC Name: N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(Cc5ccccc5)CC4)c3c(=O)[nH]1)CC2
• InChI: InChI=1S/C32H38N6O2S/c1-30(2,3)41(40)37-25-23-12-8-7-11-22(23)20-32(25)15-17-38(18-16-32)29-33-27-24(28(39)34-29)26(35-36-27)31(13-14-31)19-21-9-5-4-6-10-21/h4-12,25,37H,13-20H2,1-3H3,(H2,33,34,35,36,39)/t25-,41?/m1/s1
• InChIKey: HDBZVRBWSAENJP-GXIPDCQLSA-N
• XLogP: 4.86
• TPSA: 106.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.76
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 166885255) is N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(Cc5ccccc5)CC4)c3c(=O)[nH]1)CC2.

What is the InChIKey of N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is HDBZVRBWSAENJP-GXIPDCQLSA-N. The full InChI is InChI=1S/C32H38N6O2S/c1-30(2,3)41(40)37-25-23-12-8-7-11-22(23)20-32(25)15-17-38(18-16-32)29-33-27-24(28(39)34-29)26(35-36-27)31(13-14-31)19-21-9-5-4-6-10-21/h4-12,25,37H,13-20H2,1-3H3,(H2,33,34,35,36,39)/t25-,41?/m1/s1.

What are the key properties of N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 570.76 g/mol, XLogP of 4.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-[3-(1-benzylcyclopropyl)-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166885255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).