3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C40H48N8O3 — CID 166112357

About 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166112357) has the molecular formula C40H48N8O3 and a molecular weight of 688.88 g/mol. Its IUPAC name is 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
• PubChem CID: 166112357
• Molecular Formula: C40H48N8O3
• Molecular Weight: 688.88 g/mol
• Exact Mass: 688.38
• IUPAC Name: 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
• SMILES: CC1(C)CCc2c(-c3cc4ccc(C(=O)N5CC6(CCN(CC7CCN(c8ccc(C9CCC(=O)NC9=O)cn8)CC7)C6)C5)cc4[nH]3)n[nH]c2C1
• InChI: InChI=1S/C40H48N8O3/c1-39(2)12-9-30-33(19-39)44-45-36(30)32-17-26-3-4-27(18-31(26)42-32)38(51)48-23-40(24-48)13-16-46(22-40)21-25-10-14-47(15-11-25)34-7-5-28(20-41-34)29-6-8-35(49)43-37(29)50/h3-5,7,17-18,20,25,29,42H,6,8-16,19,21-24H2,1-2H3,(H,44,45)(H,43,49,50)
• InChIKey: ZEECRECKZHQVEE-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 130.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.88
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 166112357) is 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is CC1(C)CCc2c(-c3cc4ccc(C(=O)N5CC6(CCN(CC7CCN(c8ccc(C9CCC(=O)NC9=O)cn8)CC7)C6)C5)cc4[nH]3)n[nH]c2C1.

What is the InChIKey of 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The InChIKey is ZEECRECKZHQVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48N8O3/c1-39(2)12-9-30-33(19-39)44-45-36(30)32-17-26-3-4-27(18-31(26)42-32)38(51)48-23-40(24-48)13-16-46(22-40)21-25-10-14-47(15-11-25)34-7-5-28(20-41-34)29-6-8-35(49)43-37(29)50/h3-5,7,17-18,20,25,29,42H,6,8-16,19,21-24H2,1-2H3,(H,44,45)(H,43,49,50).

What are the key properties of 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 688.88 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[[2-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indole-6-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]methyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166112357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).