[3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane

C47H61F7N4O3Si2 — CID 175977103

About [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane

[3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 175977103) has the molecular formula C47H61F7N4O3Si2 and a molecular weight of 919.19 g/mol. Its IUPAC name is [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 175977103
• Molecular Formula: C47H61F7N4O3Si2
• Molecular Weight: 919.19 g/mol
• Exact Mass: 918.42
• IUPAC Name: [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C#Cc1c(F)ccc2cc(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c(-c3ncc4c(OCC(F)(F)F)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12)(C(C)C)C(C)C
• InChI: InChI=1S/C47H61F7N4O3Si2/c1-26(2)62(27(3)4,28(5)6)19-16-34-36(49)15-14-32-20-37(61-63(29(7)8,30(9)10)31(11)12)40(50)39(38(32)34)43-41(51)42-35(22-55-43)44(59-25-47(52,53)54)57-45(56-42)60-24-46-17-13-18-58(46)23-33(48)21-46/h14-15,20,22,26-31,33H,13,17-18,21,23-25H2,1-12H3/t33-,46+/m1/s1
• InChIKey: FLLYUACYJOPKLP-TVJLORMISA-N
• XLogP: 13.28
• TPSA: 69.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.19
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane (CID 175977103) is [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1c(F)ccc2cc(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c(-c3ncc4c(OCC(F)(F)F)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12)(C(C)C)C(C)C.

What is the InChIKey of [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is FLLYUACYJOPKLP-TVJLORMISA-N. The full InChI is InChI=1S/C47H61F7N4O3Si2/c1-26(2)62(27(3)4,28(5)6)19-16-34-36(49)15-14-32-20-37(61-63(29(7)8,30(9)10)31(11)12)40(50)39(38(32)34)43-41(51)42-35(22-55-43)44(59-25-47(52,53)54)57-45(56-42)60-24-46-17-13-18-58(46)23-33(48)21-46/h14-15,20,22,26-31,33H,13,17-18,21,23-25H2,1-12H3/t33-,46+/m1/s1.

What are the key properties of [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane?

[3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 919.19 g/mol, XLogP of 13.28, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3,6-difluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 175977103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).