(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide

C139H119F17N12O8 — CID 158230293

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 158230293) has the molecular formula C139H119F17N12O8 and a molecular weight of 2408.52 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 158230293
• Molecular Formula: C139H119F17N12O8
• Molecular Weight: 2408.52 g/mol
• Exact Mass: 2406.90
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(F)(F)F)nc2COCc2ccccc2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C2CCC3(C)C2(C)C)Cc2cc(F)cc(F)c2)ccc1F.CC1=NCC(C)=C1c1cccnc1[C@@H](CC(=O)Cc1c[nH]c2ccc(F)cc12)Cc1cc(F)cc(F)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cccc(OCc3ccccc3)c2)c1
• InChI: InChI=1S/C37H31F2N3O2.C36H29F6N3O3.C36H33F6N3O2.C30H26F3N3O/c1-24-15-26(17-30(39)16-24)18-35(42-36(43)20-28-22-41-34-13-12-29(38)21-33(28)34)37-32(11-6-14-40-37)27-9-5-10-31(19-27)44-23-25-7-3-2-4-8-25;1-22(46)31-16-25(9-10-32(31)39)30-8-5-11-43-35(30)26(12-24-13-27(37)17-28(38)14-24)15-29(47)18-45-19-33(36(40,41)42)44-34(45)21-48-20-23-6-3-2-4-7-23;1-19(46)27-16-21(7-8-29(27)39)26-6-5-11-43-31(26)22(12-20-13-23(37)17-24(38)14-20)15-25(47)18-45-32-28-9-10-35(4,34(28,2)3)30(32)33(44-45)36(40,41)42;1-17-15-35-18(2)29(17)26-4-3-7-34-30(26)20(8-19-9-23(32)13-24(33)10-19)11-25(37)12-21-16-36-28-6-5-22(31)14-27(21)28/h2-17,19,21-22,35,41H,18,20,23H2,1H3,(H,42,43);2-11,13-14,16-17,19,26H,12,15,18,20-21H2,1H3;5-8,11,13-14,16-17,22,28H,9-10,12,15,18H2,1-4H3;3-7,9-10,13-14,16,20,36H,8,11-12,15H2,1-2H3/t35-;26-;22-,28?,35?;20-/m0111/s1
• InChIKey: GEHIYFSSXOTUEX-KXLZYQESSA-N
• XLogP: 31.83
• TPSA: 264.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 40
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.52
LogP ≤ 5	31.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide (CID 158230293) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(F)(F)F)nc2COCc2ccccc2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C2CCC3(C)C2(C)C)Cc2cc(F)cc(F)c2)ccc1F.CC1=NCC(C)=C1c1cccnc1[C@@H](CC(=O)Cc1c[nH]c2ccc(F)cc12)Cc1cc(F)cc(F)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2cccc(OCc3ccccc3)c2)c1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is GEHIYFSSXOTUEX-KXLZYQESSA-N. The full InChI is InChI=1S/C37H31F2N3O2.C36H29F6N3O3.C36H33F6N3O2.C30H26F3N3O/c1-24-15-26(17-30(39)16-24)18-35(42-36(43)20-28-22-41-34-13-12-29(38)21-33(28)34)37-32(11-6-14-40-37)27-9-5-10-31(19-27)44-23-25-7-3-2-4-8-25;1-22(46)31-16-25(9-10-32(31)39)30-8-5-11-43-35(30)26(12-24-13-27(37)17-28(38)14-24)15-29(47)18-45-19-33(36(40,41)42)44-34(45)21-48-20-23-6-3-2-4-7-23;1-19(46)27-16-21(7-8-29(27)39)26-6-5-11-43-31(26)22(12-20-13-23(37)17-24(38)14-20)15-25(47)18-45-32-28-9-10-35(4,34(28,2)3)30(32)33(44-45)36(40,41)42;1-17-15-35-18(2)29(17)26-4-3-7-34-30(26)20(8-19-9-23(32)13-24(33)10-19)11-25(37)12-21-16-36-28-6-5-22(31)14-27(21)28/h2-17,19,21-22,35,41H,18,20,23H2,1H3,(H,42,43);2-11,13-14,16-17,19,26H,12,15,18,20-21H2,1H3;5-8,11,13-14,16-17,22,28H,9-10,12,15,18H2,1-4H3;3-7,9-10,13-14,16,20,36H,8,11-12,15H2,1-2H3/t35-;26-;22-,28?,35?;20-/m0111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 2408.52 g/mol, XLogP of 31.83, 40 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[2-(phenylmethoxymethyl)-4-(trifluoromethyl)imidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[7,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(3,5-dimethyl-2H-pyrrol-4-yl)-2-pyridinyl]-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(3-phenylmethoxyphenyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 158230293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).