[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate

C34H43FN2O7 — CID 159325646

About [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate

[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate (PubChem CID 159325646) has the molecular formula C34H43FN2O7 and a molecular weight of 610.72 g/mol. Its IUPAC name is [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate.

Molecular Properties

• Compound Name: [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate
• PubChem CID: 159325646
• Molecular Formula: C34H43FN2O7
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.31
• IUPAC Name: [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC[C@@H](C)OC(=O)OC(C)C
• InChI: InChI=1S/C34H43FN2O7/c1-20(2)43-32(39)44-22(4)19-42-29-12-10-24(16-30(29)41-8)28(38)13-14-34(7,40)31-18-25(33(5,6)36)17-27(37-31)23-9-11-26(35)21(3)15-23/h9-12,15-18,20,22,40H,13-14,19,36H2,1-8H3/t22-,34?/m1/s1
• InChIKey: ZTHXGYOWNUYGAQ-PVFJFFHYSA-N
• XLogP: 6.60
• TPSA: 130.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate?

The IUPAC name of [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate (CID 159325646) is [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate.

What is the SMILES notation for [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate?

The canonical SMILES for [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate is COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC[C@@H](C)OC(=O)OC(C)C.

What is the InChIKey of [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate?

The InChIKey is ZTHXGYOWNUYGAQ-PVFJFFHYSA-N. The full InChI is InChI=1S/C34H43FN2O7/c1-20(2)43-32(39)44-22(4)19-42-29-12-10-24(16-30(29)41-8)28(38)13-14-34(7,40)31-18-25(33(5,6)36)17-27(37-31)23-9-11-26(35)21(3)15-23/h9-12,15-18,20,22,40H,13-14,19,36H2,1-8H3/t22-,34?/m1/s1.

What are the key properties of [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate?

[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate has a molecular weight of 610.72 g/mol, XLogP of 6.60, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate is sourced from PubChem (CID 159325646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).