4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol

C48H58F3N5O3Si — CID 175924193

About 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol

4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol (PubChem CID 175924193) has the molecular formula C48H58F3N5O3Si and a molecular weight of 838.10 g/mol. Its IUPAC name is 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol
• PubChem CID: 175924193
• Molecular Formula: C48H58F3N5O3Si
• Molecular Weight: 838.10 g/mol
• Exact Mass: 837.43
• IUPAC Name: 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol
• SMILES: CC(C)[Si](C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5C[C@@H]6CC[C@](COC7CC7)(C5)N6)nc(OCC56CCCN5C/C(=C\F)C6)nc4c3F)c12)(C(C)C)C(C)C
• InChI: InChI=1S/C48H58F3N5O3Si/c1-29(2)60(30(3)4,31(5)6)19-15-38-41(50)13-8-33-20-35(57)21-40(42(33)38)37-11-12-39-44(43(37)51)52-46(59-28-48-16-7-18-56(48)24-32(22-48)23-49)53-45(39)55-25-34-14-17-47(26-55,54-34)27-58-36-9-10-36/h8,11-13,20-21,23,29-31,34,36,54,57H,7,9-10,14,16-18,22,24-28H2,1-6H3/b32-23-/t34-,47+,48?/m0/s1
• InChIKey: GHRMXVWELPWJFI-BOBVOPMISA-N
• XLogP: 9.96
• TPSA: 82.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.10
LogP ≤ 5	9.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

The IUPAC name of 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol (CID 175924193) is 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol.

What is the SMILES notation for 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

The canonical SMILES for 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol is CC(C)[Si](C#Cc1c(F)ccc2cc(O)cc(-c3ccc4c(N5C[C@@H]6CC[C@](COC7CC7)(C5)N6)nc(OCC56CCCN5C/C(=C\F)C6)nc4c3F)c12)(C(C)C)C(C)C.

What is the InChIKey of 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

The InChIKey is GHRMXVWELPWJFI-BOBVOPMISA-N. The full InChI is InChI=1S/C48H58F3N5O3Si/c1-29(2)60(30(3)4,31(5)6)19-15-38-41(50)13-8-33-20-35(57)21-40(42(33)38)37-11-12-39-44(43(37)51)52-46(59-28-48-16-7-18-56(48)24-32(22-48)23-49)53-45(39)55-25-34-14-17-47(26-55,54-34)27-58-36-9-10-36/h8,11-13,20-21,23,29-31,34,36,54,57H,7,9-10,14,16-18,22,24-28H2,1-6H3/b32-23-/t34-,47+,48?/m0/s1.

What are the key properties of 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol?

4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol has a molecular weight of 838.10 g/mol, XLogP of 9.96, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(1R,5S)-1-(cyclopropyloxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]quinazolin-7-yl]-6-fluoro-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-ol is sourced from PubChem (CID 175924193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).