3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione

C48H53N11O3 — CID 177198106

About 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 177198106) has the molecular formula C48H53N11O3 and a molecular weight of 832.03 g/mol. Its IUPAC name is 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione
• PubChem CID: 177198106
• Molecular Formula: C48H53N11O3
• Molecular Weight: 832.03 g/mol
• Exact Mass: 831.43
• IUPAC Name: 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione
• SMILES: Cc1c(-c2ccc3cnc(Nc4ccc(N5CCC6(CC5)CN(CC5CCN(c7cccc8c(C9CCC(=O)NC9=O)nn(C)c78)CC5)C6)cc4)nc3c2)cnc2c1NCCO2
• InChI: InChI=1S/C48H53N11O3/c1-30-38(26-50-46-42(30)49-18-23-62-46)32-6-7-33-25-51-47(53-39(33)24-32)52-34-8-10-35(11-9-34)58-21-16-48(17-22-58)28-57(29-48)27-31-14-19-59(20-15-31)40-5-3-4-36-43(55-56(2)44(36)40)37-12-13-41(60)54-45(37)61/h3-11,24-26,31,37,49H,12-23,27-29H2,1-2H3,(H,51,52,53)(H,54,60,61)
• InChIKey: SJVNCRIQXQTVBR-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 145.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	832.03
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione (CID 177198106) is 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione is Cc1c(-c2ccc3cnc(Nc4ccc(N5CCC6(CC5)CN(CC5CCN(c7cccc8c(C9CCC(=O)NC9=O)nn(C)c78)CC5)C6)cc4)nc3c2)cnc2c1NCCO2.

What is the InChIKey of 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione?

The InChIKey is SJVNCRIQXQTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53N11O3/c1-30-38(26-50-46-42(30)49-18-23-62-46)32-6-7-33-25-51-47(53-39(33)24-32)52-34-8-10-35(11-9-34)58-21-16-48(17-22-58)28-57(29-48)27-31-14-19-59(20-15-31)40-5-3-4-36-43(55-56(2)44(36)40)37-12-13-41(60)54-45(37)61/h3-11,24-26,31,37,49H,12-23,27-29H2,1-2H3,(H,51,52,53)(H,54,60,61).

What are the key properties of 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione?

3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 832.03 g/mol, XLogP of 6.77, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-methyl-7-[4-[[7-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 177198106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).