5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one

C159H144F12N9O9+ — CID 159359234

About 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one

5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one (PubChem CID 159359234) has the molecular formula C159H144F12N9O9+ and a molecular weight of 2552.93 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one
• PubChem CID: 159359234
• Molecular Formula: C159H144F12N9O9+
• Molecular Weight: 2552.93 g/mol
• Exact Mass: 2551.09
• IUPAC Name: 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one
• SMILES: COc1ccc(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=CCc2ccc(O)cc21)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=CCc2ccc(O)cc21)Cc1ccccc1.Cc1ccccc1-c1cccnc1C(CC(=O)C[N+]1=NC(C(F)(F)F)C2=C1CCCC2)Cc1ccccc1.Cc1ccccc1-c1cccnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cc(F)cc(F)c1
• InChI: InChI=1S/C33H29F2NO3.C32H27F2NO2.C32H29NO2.C31H28F5N3O.C31H31F3N3O/c1-20-12-29(39-2)9-10-30(20)31-4-3-11-36-33(31)24(13-21-14-25(34)18-26(35)15-21)17-28(38)16-23-6-5-22-7-8-27(37)19-32(22)23;1-20-5-2-3-6-29(20)30-7-4-12-35-32(30)24(13-21-14-25(33)18-26(34)15-21)17-28(37)16-23-9-8-22-10-11-27(36)19-31(22)23;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/h3-4,6-12,14-15,18-19,24,37H,5,13,16-17H2,1-2H3;2-7,9-12,14-15,18-19,24,36H,8,13,16-17H2,1H3;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;2-6,9-13,15,17,23,30H,7-8,14,16,18-20H2,1H3/q;;;;+1
• InChIKey: WIWYFJNHYXZXJM-UHFFFAOYSA-N
• XLogP: 36.79
• TPSA: 252.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 41
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2552.93
LogP ≤ 5	36.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one?

The IUPAC name of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one (CID 159359234) is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one.

What is the SMILES notation for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one?

The canonical SMILES for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one is COc1ccc(-c2cccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c(C)c1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=CCc2ccc(O)cc21)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1cccnc1C(CC(=O)CC1=CCc2ccc(O)cc21)Cc1ccccc1.Cc1ccccc1-c1cccnc1C(CC(=O)C[N+]1=NC(C(F)(F)F)C2=C1CCCC2)Cc1ccccc1.Cc1ccccc1-c1cccnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cc(F)cc(F)c1.

What is the InChIKey of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one?

The InChIKey is WIWYFJNHYXZXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2NO3.C32H27F2NO2.C32H29NO2.C31H28F5N3O.C31H31F3N3O/c1-20-12-29(39-2)9-10-30(20)31-4-3-11-36-33(31)24(13-21-14-25(34)18-26(35)15-21)17-28(38)16-23-6-5-22-7-8-27(37)19-32(22)23;1-20-5-2-3-6-29(20)30-7-4-12-35-32(30)24(13-21-14-25(33)18-26(34)15-21)17-28(37)16-23-9-8-22-10-11-27(36)19-31(22)23;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/h3-4,6-12,14-15,18-19,24,37H,5,13,16-17H2,1-2H3;2-7,9-12,14-15,18-19,24,36H,8,13,16-17H2,1H3;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;2-6,9-13,15,17,23,30H,7-8,14,16,18-20H2,1H3/q;;;;+1.

What are the key properties of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one?

5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one has a molecular weight of 2552.93 g/mol, XLogP of 36.79, 41 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxy-2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-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-tetrahydro-3H-indazol-1-ium-1-yl]pentan-2-one is sourced from PubChem (CID 159359234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).