1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione

C67H87F2N7O8Si — CID 171485317

About 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione

1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione (PubChem CID 171485317) has the molecular formula C67H87F2N7O8Si and a molecular weight of 1184.56 g/mol. Its IUPAC name is 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione
• PubChem CID: 171485317
• Molecular Formula: C67H87F2N7O8Si
• Molecular Weight: 1184.56 g/mol
• Exact Mass: 1183.64
• IUPAC Name: 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione
• SMILES: COCOc1cc(-c2ccc3c(N4CCC[C@@](C)(O)C4)nc(OCC4(CN5CCC(CCOCC6CCN(C(=O)c7ccc(C)c(N8CCC(=O)NC8=O)c7)CC6)CC5)CC4)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1
• InChI: InChI=1S/C67H87F2N7O8Si/c1-43(2)85(44(3)4,45(5)6)34-23-53-56(68)16-13-49-35-51(84-42-81-9)37-55(59(49)53)52-14-15-54-61(60(52)69)71-64(72-62(54)75-27-10-24-66(8,80)39-75)83-41-67(25-26-67)40-73-28-17-47(18-29-73)22-33-82-38-48-19-30-74(31-20-48)63(78)50-12-11-46(7)57(36-50)76-32-21-58(77)70-65(76)79/h11-16,35-37,43-45,47-48,80H,10,17-22,24-33,38-42H2,1-9H3,(H,70,77,79)/t66-/m1/s1
• InChIKey: PMASICBFROJLBE-MUGUSWDASA-N
• XLogP: 12.22
• TPSA: 159.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.56
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione (CID 171485317) is 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione is COCOc1cc(-c2ccc3c(N4CCC[C@@](C)(O)C4)nc(OCC4(CN5CCC(CCOCC6CCN(C(=O)c7ccc(C)c(N8CCC(=O)NC8=O)c7)CC6)CC5)CC4)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1.

What is the InChIKey of 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione?

The InChIKey is PMASICBFROJLBE-MUGUSWDASA-N. The full InChI is InChI=1S/C67H87F2N7O8Si/c1-43(2)85(44(3)4,45(5)6)34-23-53-56(68)16-13-49-35-51(84-42-81-9)37-55(59(49)53)52-14-15-54-61(60(52)69)71-64(72-62(54)75-27-10-24-66(8,80)39-75)83-41-67(25-26-67)40-73-28-17-47(18-29-73)22-33-82-38-48-19-30-74(31-20-48)63(78)50-12-11-46(7)57(36-50)76-32-21-58(77)70-65(76)79/h11-16,35-37,43-45,47-48,80H,10,17-22,24-33,38-42H2,1-9H3,(H,70,77,79)/t66-/m1/s1.

What are the key properties of 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione?

1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 1184.56 g/mol, XLogP of 12.22, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[2-[1-[[1-[[8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]piperidin-4-yl]ethoxymethyl]piperidine-1-carbonyl]-2-methylphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171485317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).