5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

C158H143F12N11O8 — CID 159954508

About 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (PubChem CID 159954508) has the molecular formula C158H143F12N11O8 and a molecular weight of 2551.93 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• PubChem CID: 159954508
• Molecular Formula: C158H143F12N11O8
• Molecular Weight: 2551.93 g/mol
• Exact Mass: 2550.09
• IUPAC Name: 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• SMILES: CCc1ccc(-c2cccnc2C(CC(=O)CC2=NCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=CCc2ccc(O)cc21)Cc1ccccc1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=NCc2ccc(O)cc21)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1cccnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1cccnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1ccccc1
• InChI: InChI=1S/C33H30F2N2O2.C32H29NO2.C31H28F5N3O.C31H30F3N3O.C31H26F2N2O2/c1-3-21-6-9-29(20(2)11-21)30-5-4-10-36-33(30)24(12-22-13-25(34)16-26(35)14-22)15-28(39)18-32-31-17-27(38)8-7-23(31)19-37-32;1-22-8-5-6-11-29(22)30-12-7-17-33-32(30)26(18-23-9-3-2-4-10-23)20-28(35)19-25-14-13-24-15-16-27(34)21-31(24)25;1-19-7-2-3-8-25(19)26-10-6-12-37-29(26)21(13-20-14-22(32)17-23(33)15-20)16-24(40)18-39-28-11-5-4-9-27(28)30(38-39)31(34,35)36;1-21-10-5-6-13-25(21)26-15-9-17-35-29(26)23(18-22-11-3-2-4-12-22)19-24(38)20-37-28-16-8-7-14-27(28)30(36-37)31(32,33)34;1-19-5-2-3-6-27(19)28-7-4-10-34-31(28)22(11-20-12-23(32)15-24(33)13-20)14-26(37)17-30-29-16-25(36)9-8-21(29)18-35-30/h4-11,13-14,16-17,24,38H,3,12,15,18-19H2,1-2H3;2-12,14-17,21,26,34H,13,18-20H2,1H3;2-3,6-8,10,12,14-15,17,21H,4-5,9,11,13,16,18H2,1H3;2-6,9-13,15,17,23H,7-8,14,16,18-20H2,1H3;2-10,12-13,15-16,22,36H,11,14,17-18H2,1H3
• InChIKey: OCNRHGSOOOPOJU-UHFFFAOYSA-N
• XLogP: 35.63
• TPSA: 270.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 41
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2551.93
LogP ≤ 5	35.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

The IUPAC name of 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (CID 159954508) is 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.

What is the SMILES notation for 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

The canonical SMILES for 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is CCc1ccc(-c2cccnc2C(CC(=O)CC2=NCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=CCc2ccc(O)cc21)Cc1ccccc1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=NCc2ccc(O)cc21)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1cccnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1cccnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1ccccc1.

What is the InChIKey of 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

The InChIKey is OCNRHGSOOOPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30F2N2O2.C32H29NO2.C31H28F5N3O.C31H30F3N3O.C31H26F2N2O2/c1-3-21-6-9-29(20(2)11-21)30-5-4-10-36-33(30)24(12-22-13-25(34)16-26(35)14-22)15-28(39)18-32-31-17-27(38)8-7-23(31)19-37-32;1-22-8-5-6-11-29(22)30-12-7-17-33-32(30)26(18-23-9-3-2-4-10-23)20-28(35)19-25-14-13-24-15-16-27(34)21-31(24)25;1-19-7-2-3-8-25(19)26-10-6-12-37-29(26)21(13-20-14-22(32)17-23(33)15-20)16-24(40)18-39-28-11-5-4-9-27(28)30(38-39)31(34,35)36;1-21-10-5-6-13-25(21)26-15-9-17-35-29(26)23(18-22-11-3-2-4-12-22)19-24(38)20-37-28-16-8-7-14-27(28)30(36-37)31(32,33)34;1-19-5-2-3-6-27(19)28-7-4-10-34-31(28)22(11-20-12-23(32)15-24(33)13-20)14-26(37)17-30-29-16-25(36)9-8-21(29)18-35-30/h4-11,13-14,16-17,24,38H,3,12,15,18-19H2,1-2H3;2-12,14-17,21,26,34H,13,18-20H2,1H3;2-3,6-8,10,12,14-15,17,21H,4-5,9,11,13,16,18H2,1H3;2-6,9-13,15,17,23H,7-8,14,16,18-20H2,1H3;2-10,12-13,15-16,22,36H,11,14,17-18H2,1H3.

What are the key properties of 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one has a molecular weight of 2551.93 g/mol, XLogP of 35.63, 41 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-isoindol-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-isoindol-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[3-(2-methylphenyl)-2-pyridinyl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is sourced from PubChem (CID 159954508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).