8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione

C51H69F3N8O4Si2 — CID 176727372

About 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione

8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione (PubChem CID 176727372) has the molecular formula C51H69F3N8O4Si2 and a molecular weight of 971.33 g/mol. Its IUPAC name is 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione
• PubChem CID: 176727372
• Molecular Formula: C51H69F3N8O4Si2
• Molecular Weight: 971.33 g/mol
• Exact Mass: 970.49
• IUPAC Name: 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione
• SMILES: CC(C)[Si](C#Cc1c(F)ccc2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(-c3ncc4c(N5CCC6(CN5)NC(=O)NC6=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12)(C(C)C)C(C)C
• InChI: InChI=1S/C51H69F3N8O4Si2/c1-29(2)67(30(3)4,31(5)6)21-16-38-41(53)15-14-35-22-37(66-68(32(7)8,33(9)10)34(11)12)23-39(42(35)38)44-43(54)45-40(25-55-44)46(62-20-18-51(27-56-62)47(63)59-48(64)60-51)58-49(57-45)65-28-50-17-13-19-61(50)26-36(52)24-50/h14-15,22-23,25,29-34,36,56H,13,17-20,24,26-28H2,1-12H3,(H2,59,60,63,64)/t36-,50+,51?/m1/s1
• InChIKey: LWYRYRMRIPPLOM-IOHRGRLBSA-N
• XLogP: 10.50
• TPSA: 133.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.33
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione (CID 176727372) is 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione is CC(C)[Si](C#Cc1c(F)ccc2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(-c3ncc4c(N5CCC6(CN5)NC(=O)NC6=O)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12)(C(C)C)C(C)C.

What is the InChIKey of 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione?

The InChIKey is LWYRYRMRIPPLOM-IOHRGRLBSA-N. The full InChI is InChI=1S/C51H69F3N8O4Si2/c1-29(2)67(30(3)4,31(5)6)21-16-38-41(53)15-14-35-22-37(66-68(32(7)8,33(9)10)34(11)12)23-39(42(35)38)44-43(54)45-40(25-55-44)46(62-20-18-51(27-56-62)47(63)59-48(64)60-51)58-49(57-45)65-28-50-17-13-19-61(50)26-36(52)24-50/h14-15,22-23,25,29-34,36,56H,13,17-20,24,26-28H2,1-12H3,(H2,59,60,63,64)/t36-,50+,51?/m1/s1.

What are the key properties of 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione?

8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione has a molecular weight of 971.33 g/mol, XLogP of 10.50, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[7-fluoro-8-[2-tri(propan-2-yl)silylethynyl]-3-tri(propan-2-yl)silyloxynaphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-1,3,8,9-tetrazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 176727372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).