2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid

C64H86F2N6O8 — CID 146427939

About 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid

2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid (PubChem CID 146427939) has the molecular formula C64H86F2N6O8 and a molecular weight of 1105.42 g/mol. Its IUPAC name is 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid
• PubChem CID: 146427939
• Molecular Formula: C64H86F2N6O8
• Molecular Weight: 1105.42 g/mol
• Exact Mass: 1104.65
• IUPAC Name: 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid
• SMILES: CC(C)(CC1CCc2ccc(CCCCOC3CCN(C(C(=O)O)c4cc(F)ccc4C4CCC(C)(C)O4)C3)nc2N1)OC(=O)C(c1cc(F)ccc1C1CCC(C)(C)O1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C64H86F2N6O8/c1-62(2)29-25-54(78-62)50-23-18-43(65)36-52(50)56(60(73)74)71-32-27-48(39-71)76-34-10-8-14-46-21-16-42-17-22-47(70-59(42)69-46)38-64(5,6)80-61(75)57(53-37-44(66)19-24-51(53)55-26-30-63(3,4)79-55)72-33-28-49(40-72)77-35-9-7-13-45-20-15-41-12-11-31-67-58(41)68-45/h15-16,18-21,23-24,36-37,47-49,54-57H,7-14,17,22,25-35,38-40H2,1-6H3,(H,67,68)(H,69,70)(H,73,74)
• InChIKey: FCSTYVVSOJCLRI-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 156.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.42
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid?

The IUPAC name of 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid (CID 146427939) is 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid.

What is the SMILES notation for 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid?

The canonical SMILES for 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid is CC(C)(CC1CCc2ccc(CCCCOC3CCN(C(C(=O)O)c4cc(F)ccc4C4CCC(C)(C)O4)C3)nc2N1)OC(=O)C(c1cc(F)ccc1C1CCC(C)(C)O1)N1CCC(OCCCCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid?

The InChIKey is FCSTYVVSOJCLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H86F2N6O8/c1-62(2)29-25-54(78-62)50-23-18-43(65)36-52(50)56(60(73)74)71-32-27-48(39-71)76-34-10-8-14-46-21-16-42-17-22-47(70-59(42)69-46)38-64(5,6)80-61(75)57(53-37-44(66)19-24-51(53)55-26-30-63(3,4)79-55)72-33-28-49(40-72)77-35-9-7-13-45-20-15-41-12-11-31-67-58(41)68-45/h15-16,18-21,23-24,36-37,47-49,54-57H,7-14,17,22,25-35,38-40H2,1-6H3,(H,67,68)(H,69,70)(H,73,74).

What are the key properties of 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid?

2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid has a molecular weight of 1105.42 g/mol, XLogP of 11.91, 23 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-[7-[2-[2-[2-(5,5-dimethyloxolan-2-yl)-5-fluorophenyl]-2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl]acetyl]oxy-2-methylpropyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]butoxy]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 146427939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).