4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one

C127H145F14N9O19 — CID 167704539

About 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one

4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one (PubChem CID 167704539) has the molecular formula C127H145F14N9O19 and a molecular weight of 2367.57 g/mol. Its IUPAC name is 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one.

Molecular Properties

• Compound Name: 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one
• PubChem CID: 167704539
• Molecular Formula: C127H145F14N9O19
• Molecular Weight: 2367.57 g/mol
• Exact Mass: 2366.04
• IUPAC Name: 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one
• 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)C)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)C)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C3CN(C(C)C)C3)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO
• InChI: InChI=1S/C32H37F4N3O5.C32H35F4N3O4.C32H37F3N2O5.C31H36F3NO5/c1-18(2)39-30(4,5)22-15-24(20-7-9-23(33)19(3)13-20)38-28(16-22)31(42,32(34,35)36)12-11-25(40)21-8-10-26(27(14-21)43-6)44-17-29(37)41;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;1-20(2)37-18-25(19-37)24-15-26(22-7-5-21(3)6-8-22)36-30(17-24)31(40,32(33,34)35)12-11-27(39)23-9-10-28(42-14-13-38)29(16-23)41-4;1-19-7-9-21(10-8-19)24-16-23(29(3,4)5)17-28(35-24)30(38,31(32,33)34)14-13-25(37)22-11-12-26(27(15-22)39-6)40-18-20(2)36/h7-10,13-16,18,39,42H,11-12,17H2,1-6H3,(H2,37,41);6-7,10-11,14-17,23,41H,8-9,12-13H2,1-5H3,(H2,37,39);5-10,15-17,20,25,38,40H,11-14,18-19H2,1-4H3;7-12,15-17,20,36,38H,13-14,18H2,1-6H3/t;;;20-,30?/m...1/s1
• InChIKey: YXBVWFRRRHHACD-RWGOTJCJSA-N
• XLogP: 24.68
• TPSA: 411.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 46
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.57
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one?

The IUPAC name of 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one (CID 167704539) is 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one.

What is the SMILES notation for 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one?

The canonical SMILES for 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one 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)C)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(C)C)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2cc(C3CN(C(C)C)C3)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.

What is the InChIKey of 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one?

The InChIKey is YXBVWFRRRHHACD-RWGOTJCJSA-N. The full InChI is InChI=1S/C32H37F4N3O5.C32H35F4N3O4.C32H37F3N2O5.C31H36F3NO5/c1-18(2)39-30(4,5)22-15-24(20-7-9-23(33)19(3)13-20)38-28(16-22)31(42,32(34,35)36)12-11-25(40)21-8-10-26(27(14-21)43-6)44-17-29(37)41;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;1-20(2)37-18-25(19-37)24-15-26(22-7-5-21(3)6-8-22)36-30(17-24)31(40,32(33,34)35)12-11-27(39)23-9-10-28(42-14-13-38)29(16-23)41-4;1-19-7-9-21(10-8-19)24-16-23(29(3,4)5)17-28(35-24)30(38,31(32,33)34)14-13-25(37)22-11-12-26(27(15-22)39-6)40-18-20(2)36/h7-10,13-16,18,39,42H,11-12,17H2,1-6H3,(H2,37,41);6-7,10-11,14-17,23,41H,8-9,12-13H2,1-5H3,(H2,37,39);5-10,15-17,20,25,38,40H,11-14,18-19H2,1-4H3;7-12,15-17,20,36,38H,13-14,18H2,1-6H3/t;;;20-,30?/m...1/s1.

What are the key properties of 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one?

4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one has a molecular weight of 2367.57 g/mol, XLogP of 24.68, 46 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-tert-butyl-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]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-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(propan-2-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(4-methylphenyl)-4-(1-propan-2-ylazetidin-3-yl)-2-pyridinyl]pentan-1-one is sourced from PubChem (CID 167704539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).