2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione

C47H52N10O6 — CID 177362299

About 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione (PubChem CID 177362299) has the molecular formula C47H52N10O6 and a molecular weight of 853.00 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione
• PubChem CID: 177362299
• Molecular Formula: C47H52N10O6
• Molecular Weight: 853.00 g/mol
• Exact Mass: 852.41
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione
• SMILES: Cc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CCC(CN6CCC(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)nc3C2)cnc2c1NCCO2
• InChI: InChI=1S/C47H52N10O6/c1-28-39(25-49-44-42(28)48-15-21-63-44)56-20-14-33-24-50-47(52-37(33)27-56)51-34-5-2-29(3-6-34)22-41(59)55-18-10-30(11-19-55)26-54-16-12-31(13-17-54)32-4-7-35-36(23-32)46(62)57(45(35)61)38-8-9-40(58)53-43(38)60/h2-7,23-25,30-31,38,48H,8-22,26-27H2,1H3,(H,50,51,52)(H,53,58,60)
• InChIKey: OTFNZTAKLZEHBI-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 182.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.00
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione (CID 177362299) is 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione is Cc1c(N2CCc3cnc(Nc4ccc(CC(=O)N5CCC(CN6CCC(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)nc3C2)cnc2c1NCCO2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione?

The InChIKey is OTFNZTAKLZEHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52N10O6/c1-28-39(25-49-44-42(28)48-15-21-63-44)56-20-14-33-24-50-47(52-37(33)27-56)51-34-5-2-29(3-6-34)22-41(59)55-18-10-30(11-19-55)26-54-16-12-31(13-17-54)32-4-7-35-36(23-32)46(62)57(45(35)61)38-8-9-40(58)53-43(38)60/h2-7,23-25,30-31,38,48H,8-22,26-27H2,1H3,(H,50,51,52)(H,53,58,60).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 853.00 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[1-[[1-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]amino]phenyl]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 177362299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).