tert-butyl 4-[[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]piperidine-1-carboxylate

C52H70F2N4O6Si — CID 171485351

About tert-butyl 4-[[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]piperidine-1-carboxylate

tert-butyl 4-[[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]piperidine-1-carboxylate (PubChem CID 171485351) has the molecular formula C52H70F2N4O6Si and a molecular weight of 913.24 g/mol. Its IUPAC name is tert-butyl 4-[[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]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[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]piperidine-1-carboxylate
• PubChem CID: 171485351
• Molecular Formula: C52H70F2N4O6Si
• Molecular Weight: 913.24 g/mol
• Exact Mass: 912.50
• IUPAC Name: tert-butyl 4-[[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]piperidine-1-carboxylate
• SMILES: COCOc1cc(-c2ccc3c(N4CCC[C@@](C)(O)C4)nc(OCC4(CC5CCN(C(=O)OC(C)(C)C)CC5)CC4)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1
• InChI: InChI=1S/C52H70F2N4O6Si/c1-33(2)65(34(3)4,35(5)6)26-19-40-43(53)16-13-37-27-38(63-32-61-11)28-42(44(37)40)39-14-15-41-46(45(39)54)55-48(56-47(41)58-23-12-20-51(10,60)30-58)62-31-52(21-22-52)29-36-17-24-57(25-18-36)49(59)64-50(7,8)9/h13-16,27-28,33-36,60H,12,17-18,20-25,29-32H2,1-11H3/t51-/m1/s1
• InChIKey: OYIGQSWVKNCPSF-NLXJDERGSA-N
• XLogP: 11.83
• TPSA: 106.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.24
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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 tert-butyl 4-[[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]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[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]piperidine-1-carboxylate (CID 171485351) is tert-butyl 4-[[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]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[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]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[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]piperidine-1-carboxylate is COCOc1cc(-c2ccc3c(N4CCC[C@@](C)(O)C4)nc(OCC4(CC5CCN(C(=O)OC(C)(C)C)CC5)CC4)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1.

What is the InChIKey of tert-butyl 4-[[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]piperidine-1-carboxylate?

The InChIKey is OYIGQSWVKNCPSF-NLXJDERGSA-N. The full InChI is InChI=1S/C52H70F2N4O6Si/c1-33(2)65(34(3)4,35(5)6)26-19-40-43(53)16-13-37-27-38(63-32-61-11)28-42(44(37)40)39-14-15-41-46(45(39)54)55-48(56-47(41)58-23-12-20-51(10,60)30-58)62-31-52(21-22-52)29-36-17-24-57(25-18-36)49(59)64-50(7,8)9/h13-16,27-28,33-36,60H,12,17-18,20-25,29-32H2,1-11H3/t51-/m1/s1.

What are the key properties of tert-butyl 4-[[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]piperidine-1-carboxylate?

tert-butyl 4-[[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]piperidine-1-carboxylate has a molecular weight of 913.24 g/mol, XLogP of 11.83, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[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]piperidine-1-carboxylate is sourced from PubChem (CID 171485351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).