4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride

C93H101Cl2F9N8O21 — CID 159139906

About 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride

4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride (PubChem CID 159139906) has the molecular formula C93H101Cl2F9N8O21 and a molecular weight of 1908.75 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride
• PubChem CID: 159139906
• Molecular Formula: C93H101Cl2F9N8O21
• Molecular Weight: 1908.75 g/mol
• Exact Mass: 1906.63
• IUPAC Name: 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride
• SMILES: COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(Cl)n2)C(F)(F)F)ccc1OCCO.COc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)cn1.COc1ccc(-c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(C(O)(CCC(=O)c3ccc(OCCO)c(O)c3)C(F)(F)F)n2)cn1.Cl
• InChI: InChI=1S/C35H36F3N3O8.C30H32ClF3N2O7.C28H32F3N3O6.ClH/c1-33(2,41-32(45)49-21-22-7-5-4-6-8-22)25-18-26(24-10-12-31(47-3)39-20-24)40-30(19-25)34(46,35(36,37)38)14-13-27(43)23-9-11-29(28(44)17-23)48-16-15-42;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)19-14-20(18-6-8-25(39-4)33-16-18)34-24(15-19)27(37,28(29,30)31)10-9-21(36)17-5-7-22(40-12-11-35)23(13-17)38-3;/h4-12,17-20,42,44,46H,13-16,21H2,1-3H3,(H,41,45);4-10,15-17,37,40H,11-14,18H2,1-3H3,(H,36,39);5-8,13-16,35,37H,9-12,32H2,1-4H3;1H
• InChIKey: ARNYXFFTBBMRKJ-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 424.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1908.75
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	10
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-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride?

The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride (CID 159139906) is 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride.

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

The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride is COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(Cl)n2)C(F)(F)F)ccc1OCCO.COc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)cn1.COc1ccc(-c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(C(O)(CCC(=O)c3ccc(OCCO)c(O)c3)C(F)(F)F)n2)cn1.Cl.

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

The InChIKey is ARNYXFFTBBMRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N3O8.C30H32ClF3N2O7.C28H32F3N3O6.ClH/c1-33(2,41-32(45)49-21-22-7-5-4-6-8-22)25-18-26(24-10-12-31(47-3)39-20-24)40-30(19-25)34(46,35(36,37)38)14-13-27(43)23-9-11-29(28(44)17-23)48-16-15-42;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)19-14-20(18-6-8-25(39-4)33-16-18)34-24(15-19)27(37,28(29,30)31)10-9-21(36)17-5-7-22(40-12-11-35)23(13-17)38-3;/h4-12,17-20,42,44,46H,13-16,21H2,1-3H3,(H,41,45);4-10,15-17,37,40H,11-14,18H2,1-3H3,(H,36,39);5-8,13-16,35,37H,9-12,32H2,1-4H3;1H.

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

4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride has a molecular weight of 1908.75 g/mol, XLogP of 16.05, 39 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminopropan-2-yl)-6-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)-6-[1,1,1-trifluoro-2-hydroxy-5-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 159139906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).