tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C39H57FN6O10 — CID 146662981

About tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 146662981) has the molecular formula C39H57FN6O10 and a molecular weight of 788.91 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 146662981
• Molecular Formula: C39H57FN6O10
• Molecular Weight: 788.91 g/mol
• Exact Mass: 788.41
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2OC(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C39H57FN6O10/c1-27-30(11-17-45-15-9-28(10-16-45)34-31-8-7-29(40)26-33(31)56-44-34)36(47)46-14-5-6-32(35(46)43-27)54-37(48)41-12-18-50-20-22-52-24-25-53-23-21-51-19-13-42-38(49)55-39(2,3)4/h7-8,26,28,32H,5-6,9-25H2,1-4H3,(H,41,48)(H,42,49)
• InChIKey: TWJYFXYPOOUXHO-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 177.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.91
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 146662981) is tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2OC(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is TWJYFXYPOOUXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57FN6O10/c1-27-30(11-17-45-15-9-28(10-16-45)34-31-8-7-29(40)26-33(31)56-44-34)36(47)46-14-5-6-32(35(46)43-27)54-37(48)41-12-18-50-20-22-52-24-25-53-23-21-51-19-13-42-38(49)55-39(2,3)4/h7-8,26,28,32H,5-6,9-25H2,1-4H3,(H,41,48)(H,42,49).

What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?

tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 788.91 g/mol, XLogP of 4.41, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[2-[[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 146662981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).