4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride

C94H103Cl2F9N8O21 — CID 159774847

About 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride

4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride (PubChem CID 159774847) has the molecular formula C94H103Cl2F9N8O21 and a molecular weight of 1922.78 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride
• PubChem CID: 159774847
• Molecular Formula: C94H103Cl2F9N8O21
• Molecular Weight: 1922.78 g/mol
• Exact Mass: 1920.65
• IUPAC Name: 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride
• SMILES: COc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)ccn1.COc1cc(-c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)ccn1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(Cl)n2)C(F)(F)F)ccc1OCCO.Cl
• InChI: InChI=1S/C36H38F3N3O8.C30H32ClF3N2O7.C28H32F3N3O6.ClH/c1-34(2,42-33(45)50-22-23-8-6-5-7-9-23)26-20-27(24-13-15-40-32(19-24)48-4)41-31(21-26)35(46,36(37,38)39)14-12-28(44)25-10-11-29(49-17-16-43)30(18-25)47-3;1-28(2,36-27(39)43-18-19-7-5-4-6-8-19)21-16-25(35-26(31)17-21)29(40,30(32,33)34)12-11-22(38)20-9-10-23(42-14-13-37)24(15-20)41-3;1-26(2,32)19-15-20(17-8-10-33-25(14-17)39-4)34-24(16-19)27(37,28(29,30)31)9-7-21(36)18-5-6-22(40-12-11-35)23(13-18)38-3;/h5-11,13,15,18-21,43,46H,12,14,16-17,22H2,1-4H3,(H,42,45);4-10,15-17,37,40H,11-14,18H2,1-3H3,(H,36,39);5-6,8,10,13-16,35,37H,7,9,11-12,32H2,1-4H3;1H
• InChIKey: GDVWZOMPLVUBHI-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 413.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.78
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride?

The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride (CID 159774847) is 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride.

What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride?

The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride is COc1cc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)ccn1.COc1cc(-c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)ccn1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(Cl)n2)C(F)(F)F)ccc1OCCO.Cl.

What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride?

The InChIKey is GDVWZOMPLVUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38F3N3O8.C30H32ClF3N2O7.C28H32F3N3O6.ClH/c1-34(2,42-33(45)50-22-23-8-6-5-7-9-23)26-20-27(24-13-15-40-32(19-24)48-4)41-31(21-26)35(46,36(37,38)39)14-12-28(44)25-10-11-29(49-17-16-43)30(18-25)47-3;1-28(2,36-27(39)43-18-19-7-5-4-6-8-19)21-16-25(35-26(31)17-21)29(40,30(32,33)34)12-11-22(38)20-9-10-23(42-14-13-37)24(15-20)41-3;1-26(2,32)19-15-20(17-8-10-33-25(14-17)39-4)34-24(16-19)27(37,28(29,30)31)9-7-21(36)18-5-6-22(40-12-11-35)23(13-18)38-3;/h5-11,13,15,18-21,43,46H,12,14,16-17,22H2,1-4H3,(H,42,45);4-10,15-17,37,40H,11-14,18H2,1-3H3,(H,36,39);5-6,8,10,13-16,35,37H,7,9,11-12,32H2,1-4H3;1H.

What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride?

4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride has a molecular weight of 1922.78 g/mol, XLogP of 16.36, 40 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminopropan-2-yl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-chloro-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[2-(2-methoxy-4-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 159774847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).