[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate

C45H47FN8O7 — CID 176695374

About [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate

[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (PubChem CID 176695374) has the molecular formula C45H47FN8O7 and a molecular weight of 830.92 g/mol. Its IUPAC name is [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.

Molecular Properties

• Compound Name: [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
• PubChem CID: 176695374
• Molecular Formula: C45H47FN8O7
• Molecular Weight: 830.92 g/mol
• Exact Mass: 830.36
• IUPAC Name: [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
• SMILES: Cc1c(-c2cc3cc(NC(=O)OC4CC5(CCN(CC6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)ncc3cc2F)cnc2c1NCCO2
• InChI: InChI=1S/C45H47FN8O7/c1-25-32(23-49-41-39(25)47-11-16-60-41)31-17-27-19-36(48-22-28(27)18-33(31)46)50-44(59)61-29-20-45(21-29)9-14-52(15-10-45)24-26-7-12-53(13-8-26)34-4-2-3-30-38(34)43(58)54(42(30)57)35-5-6-37(55)51-40(35)56/h2-4,17-19,22-23,26,29,35,47H,5-16,20-21,24H2,1H3,(H,48,50,59)(H,51,55,56)
• InChIKey: GWSCYOMURWBOFT-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 175.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	830.92
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The IUPAC name of [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate (CID 176695374) is [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate.

What is the SMILES notation for [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The canonical SMILES for [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is Cc1c(-c2cc3cc(NC(=O)OC4CC5(CCN(CC6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)ncc3cc2F)cnc2c1NCCO2.

What is the InChIKey of [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

The InChIKey is GWSCYOMURWBOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47FN8O7/c1-25-32(23-49-41-39(25)47-11-16-60-41)31-17-27-19-36(48-22-28(27)18-33(31)46)50-44(59)61-29-20-45(21-29)9-14-52(15-10-45)24-26-7-12-53(13-8-26)34-4-2-3-30-38(34)43(58)54(42(30)57)35-5-6-37(55)51-40(35)56/h2-4,17-19,22-23,26,29,35,47H,5-16,20-21,24H2,1H3,(H,48,50,59)(H,51,55,56).

What are the key properties of [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate?

[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate has a molecular weight of 830.92 g/mol, XLogP of 5.66, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate is sourced from PubChem (CID 176695374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).