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

C124H112F10N10O6 — CID 159022696

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

5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (PubChem CID 159022696) has the molecular formula C124H112F10N10O6 and a molecular weight of 2028.30 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.

Molecular Properties

• Compound Name: 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• PubChem CID: 159022696
• Molecular Formula: C124H112F10N10O6
• Molecular Weight: 2028.30 g/mol
• Exact Mass: 2026.86
• IUPAC Name: 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• SMILES: Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2ccccc2)c1.Cc1ccccc1-c1ccnc(C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)n1.Cc1ccccc1-c1ccnc(C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2ccccc2)n1
• InChI: InChI=1S/C32H27F2NO2.C32H29NO2.C30H27F5N4O.C30H29F3N4O/c1-20-4-2-3-5-30(20)24-10-11-35-32(17-24)25(12-21-13-26(33)18-27(34)14-21)16-29(37)15-23-7-6-22-8-9-28(36)19-31(22)23;1-22-7-5-6-10-30(22)26-15-16-33-32(20-26)27(17-23-8-3-2-4-9-23)19-29(35)18-25-12-11-24-13-14-28(34)21-31(24)25;1-18-6-2-3-7-24(18)26-10-11-36-29(37-26)20(12-19-13-21(31)16-22(32)14-19)15-23(40)17-39-27-9-5-4-8-25(27)28(38-39)30(33,34)35;1-20-9-5-6-12-24(20)26-15-16-34-29(35-26)22(17-21-10-3-2-4-11-21)18-23(38)19-37-27-14-8-7-13-25(27)28(36-37)30(31,32)33/h2-5,7-11,13-14,17-19,25,36H,6,12,15-16H2,1H3;2-10,12-16,20-21,27,34H,11,17-19H2,1H3;2-3,6-7,10-11,13-14,16,20H,4-5,8-9,12,15,17H2,1H3;2-6,9-12,15-16,22H,7-8,13-14,17-19H2,1H3
• InChIKey: JTWZBLNCFLBGSY-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 221.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.30
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (CID 159022696) is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-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)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

The canonical SMILES for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)c1.Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2ccccc2)c1.Cc1ccccc1-c1ccnc(C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)n1.Cc1ccccc1-c1ccnc(C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2ccccc2)n1.

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

The InChIKey is JTWZBLNCFLBGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F2NO2.C32H29NO2.C30H27F5N4O.C30H29F3N4O/c1-20-4-2-3-5-30(20)24-10-11-35-32(17-24)25(12-21-13-26(33)18-27(34)14-21)16-29(37)15-23-7-6-22-8-9-28(36)19-31(22)23;1-22-7-5-6-10-30(22)26-15-16-33-32(20-26)27(17-23-8-3-2-4-9-23)19-29(35)18-25-12-11-24-13-14-28(34)21-31(24)25;1-18-6-2-3-7-24(18)26-10-11-36-29(37-26)20(12-19-13-21(31)16-22(32)14-19)15-23(40)17-39-27-9-5-4-8-25(27)28(38-39)30(33,34)35;1-20-9-5-6-12-24(20)26-15-16-34-29(35-26)22(17-21-10-3-2-4-11-21)18-23(38)19-37-27-14-8-7-13-25(27)28(36-37)30(31,32)33/h2-5,7-11,13-14,17-19,25,36H,6,12,15-16H2,1H3;2-10,12-16,20-21,27,34H,11,17-19H2,1H3;2-3,6-7,10-11,13-14,16,20H,4-5,8-9,12,15,17H2,1H3;2-6,9-12,15-16,22H,7-8,13-14,17-19H2,1H3.

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

5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one has a molecular weight of 2028.30 g/mol, XLogP of 27.78, 32 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)-2-pyridinyl]-5-phenylpentan-2-one;4-[4-(2-methylphenyl)pyrimidin-2-yl]-5-phenyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is sourced from PubChem (CID 159022696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).