2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide

C154H164F18N12O22 — CID 159264622

About 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide

2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide (PubChem CID 159264622) has the molecular formula C154H164F18N12O22 and a molecular weight of 2877.03 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide.

Molecular Properties

• Compound Name: 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide
• PubChem CID: 159264622
• Molecular Formula: C154H164F18N12O22
• Molecular Weight: 2877.03 g/mol
• Exact Mass: 2875.18
• IUPAC Name: 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide
• SMILES: COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)/N=C(\C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC3COC3)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3CNC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3CNC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
• InChI: InChI=1S/C33H37F3N2O5.C32H35F4N3O4.2C30H30F4N2O4.C29H32F3N3O5/c1-20-5-7-21(8-6-20)26-16-23(31(2,3)38-24-18-42-19-24)17-30(37-26)32(40,33(34,35)36)14-13-27(39)22-9-12-28(29(15-22)41-4)43-25-10-11-25;1-18-14-20(6-10-24(18)33)25-16-22(30(3,4)39-19(2)37)17-29(38-25)31(41,32(34,35)36)13-12-26(40)21-7-11-27(28(15-21)42-5)43-23-8-9-23;2*1-17-11-18(3-7-23(17)31)24-12-20(21-15-35-16-21)14-28(36-24)29(38,30(32,33)34)10-9-25(37)19-4-8-26(27(13-19)39-2)40-22-5-6-22;1-17-5-7-18(8-6-17)21-14-20(27(2,3)34)15-25(35-21)28(38,29(30,31)32)12-11-22(36)19-9-10-23(24(13-19)39-4)40-16-26(33)37/h5-9,12,15-17,24-25,38,40H,10-11,13-14,18-19H2,1-4H3;6-7,10-11,14-17,23,41H,8-9,12-13H2,1-5H3,(H2,37,39);2*3-4,7-8,11-14,21-22,35,38H,5-6,9-10,15-16H2,1-2H3;5-10,13-15,38H,11-12,16,34H2,1-4H3,(H2,33,37)
• InChIKey: KWYDSCUGJXIPRQ-UHFFFAOYSA-N
• XLogP: 29.24
• TPSA: 496.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 54
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2877.03
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?

The IUPAC name of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide (CID 159264622) is 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide.

What is the SMILES notation for 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?

The canonical SMILES for 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide is COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)/N=C(\C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC3COC3)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3CNC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C3CNC3)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.

What is the InChIKey of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?

The InChIKey is KWYDSCUGJXIPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N2O5.C32H35F4N3O4.2C30H30F4N2O4.C29H32F3N3O5/c1-20-5-7-21(8-6-20)26-16-23(31(2,3)38-24-18-42-19-24)17-30(37-26)32(40,33(34,35)36)14-13-27(39)22-9-12-28(29(15-22)41-4)43-25-10-11-25;1-18-14-20(6-10-24(18)33)25-16-22(30(3,4)39-19(2)37)17-29(38-25)31(41,32(34,35)36)13-12-26(40)21-7-11-27(28(15-21)42-5)43-23-8-9-23;2*1-17-11-18(3-7-23(17)31)24-12-20(21-15-35-16-21)14-28(36-24)29(38,30(32,33)34)10-9-25(37)19-4-8-26(27(13-19)39-2)40-22-5-6-22;1-17-5-7-18(8-6-17)21-14-20(27(2,3)34)15-25(35-21)28(38,29(30,31)32)12-11-22(36)19-9-10-23(24(13-19)39-4)40-16-26(33)37/h5-9,12,15-17,24-25,38,40H,10-11,13-14,18-19H2,1-4H3;6-7,10-11,14-17,23,41H,8-9,12-13H2,1-5H3,(H2,37,39);2*3-4,7-8,11-14,21-22,35,38H,5-6,9-10,15-16H2,1-2H3;5-10,13-15,38H,11-12,16,34H2,1-4H3,(H2,33,37).

What are the key properties of 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?

2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide has a molecular weight of 2877.03 g/mol, XLogP of 29.24, 54 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;bis(4-[4-(azetidin-3-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxy-4-[6-(4-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]pentan-1-one;N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide is sourced from PubChem (CID 159264622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).