3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione

C48H56N8O4 — CID 176777069

About 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione

3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione (PubChem CID 176777069) has the molecular formula C48H56N8O4 and a molecular weight of 809.03 g/mol. Its IUPAC name is 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
• PubChem CID: 176777069
• Molecular Formula: C48H56N8O4
• Molecular Weight: 809.03 g/mol
• Exact Mass: 808.44
• IUPAC Name: 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
• SMILES: CCc1cc(-c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)cc(CC)c1N1CCN(CC2CCN(c3ccc4c(c3)C(C)C(=O)N4C3CCC(=O)NC3=O)CC2)CC1
• InChI: InChI=1S/C48H56N8O4/c1-4-31-22-34(38-24-33(10-15-49-38)39-26-37-44(51-39)48(13-14-48)28-50-45(37)58)23-32(5-2)43(31)55-20-18-53(19-21-55)27-30-11-16-54(17-12-30)35-6-7-40-36(25-35)29(3)47(60)56(40)41-8-9-42(57)52-46(41)59/h6-7,10,15,22-26,29-30,41,51H,4-5,8-9,11-14,16-21,27-28H2,1-3H3,(H,50,58)(H,52,57,59)
• InChIKey: UVYUGKIAPKGWIU-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 133.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.03
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione (CID 176777069) is 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione is CCc1cc(-c2cc(-c3cc4c([nH]3)C3(CC3)CNC4=O)ccn2)cc(CC)c1N1CCN(CC2CCN(c3ccc4c(c3)C(C)C(=O)N4C3CCC(=O)NC3=O)CC2)CC1.

What is the InChIKey of 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?

The InChIKey is UVYUGKIAPKGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56N8O4/c1-4-31-22-34(38-24-33(10-15-49-38)39-26-37-44(51-39)48(13-14-48)28-50-45(37)58)23-32(5-2)43(31)55-20-18-53(19-21-55)27-30-11-16-54(17-12-30)35-6-7-40-36(25-35)29(3)47(60)56(40)41-8-9-42(57)52-46(41)59/h6-7,10,15,22-26,29-30,41,51H,4-5,8-9,11-14,16-21,27-28H2,1-3H3,(H,50,58)(H,52,57,59).

What are the key properties of 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione?

3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione has a molecular weight of 809.03 g/mol, XLogP of 5.94, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-[[4-[2,6-diethyl-4-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-2-yl)-2-pyridinyl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-2-oxo-3H-indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 176777069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).