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

C30H34N8O — CID 166523414

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

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2-cyclopropyl-6,6-dimethyl-7H-indazol-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166523414) has the molecular formula C30H34N8O and a molecular weight of 522.66 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2-cyclopropyl-6,6-dimethyl-7H-indazol-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-(2-cyclopropyl-6,6-dimethyl-7H-indazol-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• PubChem CID: 166523414
• Molecular Formula: C30H34N8O
• Molecular Weight: 522.66 g/mol
• Exact Mass: 522.29
• IUPAC Name: 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2-cyclopropyl-6,6-dimethyl-7H-indazol-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• SMILES: CC1(C)C=C(c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)[nH]c(=O)c23)c2cn(C3CC3)nc2C1
• InChI: InChI=1S/C30H34N8O/c1-29(2)14-20(21-16-38(18-7-8-18)36-22(21)15-29)24-23-26(35-34-24)32-28(33-27(23)39)37-11-9-30(10-12-37)13-17-5-3-4-6-19(17)25(30)31/h3-6,14,16,18,25H,7-13,15,31H2,1-2H3,(H2,32,33,34,35,39)/t25-/m1/s1
• InChIKey: XIWIHONNIFIJGU-RUZDIDTESA-N
• XLogP: 4.03
• TPSA: 121.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.66
LogP ≤ 5	4.03
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-(2-cyclopropyl-6,6-dimethyl-7H-indazol-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-(2-cyclopropyl-6,6-dimethyl-7H-indazol-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166523414) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2-cyclopropyl-6,6-dimethyl-7H-indazol-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-(2-cyclopropyl-6,6-dimethyl-7H-indazol-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-(2-cyclopropyl-6,6-dimethyl-7H-indazol-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CC1(C)C=C(c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)[nH]c(=O)c23)c2cn(C3CC3)nc2C1.

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

The InChIKey is XIWIHONNIFIJGU-RUZDIDTESA-N. The full InChI is InChI=1S/C30H34N8O/c1-29(2)14-20(21-16-38(18-7-8-18)36-22(21)15-29)24-23-26(35-34-24)32-28(33-27(23)39)37-11-9-30(10-12-37)13-17-5-3-4-6-19(17)25(30)31/h3-6,14,16,18,25H,7-13,15,31H2,1-2H3,(H2,32,33,34,35,39)/t25-/m1/s1.

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

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2-cyclopropyl-6,6-dimethyl-7H-indazol-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 522.66 g/mol, XLogP of 4.03, 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-(2-cyclopropyl-6,6-dimethyl-7H-indazol-4-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).