4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate

C123H133F7IN11O16 — CID 159301213

About 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate

4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate (PubChem CID 159301213) has the molecular formula C123H133F7IN11O16 and a molecular weight of 2281.37 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
• PubChem CID: 159301213
• Molecular Formula: C123H133F7IN11O16
• Molecular Weight: 2281.37 g/mol
• Exact Mass: 2279.89
• IUPAC Name: 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
• SMILES: CC(C)(NC(=O)OCc1ccccc1)c1cc(-c2ccc(F)cc2)nc(C(O)(CN)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)ccc1-c1ccncc1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c3ccc(F)cc3)n2)ccc1-c1ccncc1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c3ccc(F)cc3)n2)ccc1I
• InChI: InChI=1S/C36H40FN3O5.C31H36FIN2O5.C31H32FN3O3.C25H25F4N3O3/c1-34(2,3)45-33(42)40-35(4,5)26-21-29(24-8-11-27(37)12-9-24)39-32(22-26)36(6,43)17-14-30(41)25-10-13-28(31(20-25)44-7)23-15-18-38-19-16-23;1-29(2,3)40-28(37)35-30(4,5)21-17-24(19-8-11-22(32)12-9-19)34-27(18-21)31(6,38)15-14-25(36)20-10-13-23(33)26(16-20)39-7;1-30(2,33)23-18-26(21-5-8-24(32)9-6-21)35-29(19-23)31(3,37)14-11-27(36)22-7-10-25(28(17-22)38-4)20-12-15-34-16-13-20;1-23(2,32-22(33)35-14-16-6-4-3-5-7-16)18-12-20(17-8-10-19(26)11-9-17)31-21(13-18)24(34,15-30)25(27,28)29/h8-13,15-16,18-22,43H,14,17H2,1-7H3,(H,40,42);8-13,16-18,38H,14-15H2,1-7H3,(H,35,37);5-10,12-13,15-19,37H,11,14,33H2,1-4H3;3-13,34H,14-15,30H2,1-2H3,(H,32,33)
• InChIKey: LBIYVKGBJPSMEF-UHFFFAOYSA-N
• XLogP: 25.50
• TPSA: 404.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.37
LogP ≤ 5	25.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate?

The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate (CID 159301213) is 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate.

What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate?

The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate is CC(C)(NC(=O)OCc1ccccc1)c1cc(-c2ccc(F)cc2)nc(C(O)(CN)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)ccc1-c1ccncc1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c3ccc(F)cc3)n2)ccc1-c1ccncc1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c3ccc(F)cc3)n2)ccc1I.

What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate?

The InChIKey is LBIYVKGBJPSMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40FN3O5.C31H36FIN2O5.C31H32FN3O3.C25H25F4N3O3/c1-34(2,3)45-33(42)40-35(4,5)26-21-29(24-8-11-27(37)12-9-24)39-32(22-26)36(6,43)17-14-30(41)25-10-13-28(31(20-25)44-7)23-15-18-38-19-16-23;1-29(2,3)40-28(37)35-30(4,5)21-17-24(19-8-11-22(32)12-9-19)34-27(18-21)31(6,38)15-14-25(36)20-10-13-23(33)26(16-20)39-7;1-30(2,33)23-18-26(21-5-8-24(32)9-6-21)35-29(19-23)31(3,37)14-11-27(36)22-7-10-25(28(17-22)38-4)20-12-15-34-16-13-20;1-23(2,32-22(33)35-14-16-6-4-3-5-7-16)18-12-20(17-8-10-19(26)11-9-17)31-21(13-18)24(34,15-30)25(27,28)29/h8-13,15-16,18-22,43H,14,17H2,1-7H3,(H,40,42);8-13,16-18,38H,14-15H2,1-7H3,(H,35,37);5-10,12-13,15-19,37H,11,14,33H2,1-4H3;3-13,34H,14-15,30H2,1-2H3,(H,32,33).

What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate?

4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate has a molecular weight of 2281.37 g/mol, XLogP of 25.50, 35 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-pyridin-4-ylphenyl)pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(4-iodo-3-methoxyphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[2-hydroxy-5-(3-methoxy-4-pyridin-4-ylphenyl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate is sourced from PubChem (CID 159301213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).