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

C134H126F14N8O8 — CID 158419722

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

5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (PubChem CID 158419722) has the molecular formula C134H126F14N8O8 and a molecular weight of 2242.50 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-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-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• PubChem CID: 158419722
• Molecular Formula: C134H126F14N8O8
• Molecular Weight: 2242.50 g/mol
• Exact Mass: 2240.95
• IUPAC Name: 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• SMILES: CCc1cc(C)c(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.CCc1ccc(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.COc1cc(C)c(-c2cccnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)c(C)c1.COc1ccc(-c2cccnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)c(C)c1
• InChI: InChI=1S/C35H33F2NO2.C34H31F2NO2.C33H32F5N3O2.C32H30F5N3O2/c1-4-23-12-21(2)34(22(3)13-23)32-6-5-11-38-35(32)27(14-24-15-28(36)19-29(37)16-24)18-31(40)17-26-8-7-25-9-10-30(39)20-33(25)26;1-3-22-6-11-31(21(2)13-22)32-5-4-12-37-34(32)26(14-23-15-27(35)19-28(36)16-23)18-30(39)17-25-8-7-24-9-10-29(38)20-33(24)25;1-19-11-26(43-3)12-20(2)30(19)28-8-6-10-39-31(28)22(13-21-14-23(34)17-24(35)15-21)16-25(42)18-41-29-9-5-4-7-27(29)32(40-41)33(36,37)38;1-19-12-25(42-2)9-10-26(19)27-7-5-11-38-30(27)21(13-20-14-22(33)17-23(34)15-20)16-24(41)18-40-29-8-4-3-6-28(29)31(39-40)32(35,36)37/h5-6,8-13,15-16,19-20,27,39H,4,7,14,17-18H2,1-3H3;4-6,8-13,15-16,19-20,26,38H,3,7,14,17-18H2,1-2H3;6,8,10-12,14-15,17,22H,4-5,7,9,13,16,18H2,1-3H3;5,7,9-12,14-15,17,21H,3-4,6,8,13,16,18H2,1-2H3
• InChIKey: HAIMVAHDCCECGO-UHFFFAOYSA-N
• XLogP: 31.30
• TPSA: 214.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 36
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2242.50
LogP ≤ 5	31.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-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-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (CID 158419722) is 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-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-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-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-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is CCc1cc(C)c(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.CCc1ccc(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.COc1cc(C)c(-c2cccnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)c(C)c1.COc1ccc(-c2cccnc2C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)c(C)c1.

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

The InChIKey is HAIMVAHDCCECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2NO2.C34H31F2NO2.C33H32F5N3O2.C32H30F5N3O2/c1-4-23-12-21(2)34(22(3)13-23)32-6-5-11-38-35(32)27(14-24-15-28(36)19-29(37)16-24)18-31(40)17-26-8-7-25-9-10-30(39)20-33(25)26;1-3-22-6-11-31(21(2)13-22)32-5-4-12-37-34(32)26(14-23-15-27(35)19-28(36)16-23)18-30(39)17-25-8-7-24-9-10-29(38)20-33(24)25;1-19-11-26(43-3)12-20(2)30(19)28-8-6-10-39-31(28)22(13-21-14-23(34)17-24(35)15-21)16-25(42)18-41-29-9-5-4-7-27(29)32(40-41)33(36,37)38;1-19-12-25(42-2)9-10-26(19)27-7-5-11-38-30(27)21(13-20-14-22(33)17-23(34)15-20)16-24(41)18-40-29-8-4-3-6-28(29)31(39-40)32(35,36)37/h5-6,8-13,15-16,19-20,27,39H,4,7,14,17-18H2,1-3H3;4-6,8-13,15-16,19-20,26,38H,3,7,14,17-18H2,1-2H3;6,8,10-12,14-15,17,22H,4-5,7,9,13,16,18H2,1-3H3;5,7,9-12,14-15,17,21H,3-4,6,8,13,16,18H2,1-2H3.

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

5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one has a molecular weight of 2242.50 g/mol, XLogP of 31.30, 36 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2,6-dimethylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-ethyl-2-methylphenyl)-2-pyridinyl]-1-(6-hydroxy-3H-inden-1-yl)pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2,6-dimethylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is sourced from PubChem (CID 158419722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).