3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione

C25H29N3O3Si — CID 151743530

About 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione

3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione (PubChem CID 151743530) has the molecular formula C25H29N3O3Si and a molecular weight of 447.61 g/mol. Its IUPAC name is 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
• PubChem CID: 151743530
• Molecular Formula: C25H29N3O3Si
• Molecular Weight: 447.61 g/mol
• Exact Mass: 447.20
• IUPAC Name: 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
• SMILES: CC(C)(C)[Si](C)(C)OCC#Cc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O
• InChI: InChI=1S/C25H29N3O3Si/c1-25(2,3)32(4,5)31-16-8-9-17-14-15-26-23-22(17)18-10-6-7-11-19(18)28(23)20-12-13-21(29)27-24(20)30/h6-7,10-11,14-15,20H,12-13,16H2,1-5H3,(H,27,29,30)
• InChIKey: RNAMSTUEHSBGDH-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.61
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione (CID 151743530) is 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione is CC(C)(C)[Si](C)(C)OCC#Cc1ccnc2c1c1ccccc1n2C1CCC(=O)NC1=O.

What is the InChIKey of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?

The InChIKey is RNAMSTUEHSBGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3Si/c1-25(2,3)32(4,5)31-16-8-9-17-14-15-26-23-22(17)18-10-6-7-11-19(18)28(23)20-12-13-21(29)27-24(20)30/h6-7,10-11,14-15,20H,12-13,16H2,1-5H3,(H,27,29,30).

What are the key properties of 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione?

3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione has a molecular weight of 447.61 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione is sourced from PubChem (CID 151743530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).