5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]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)pyrimidin-2-yl]-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

C122H110F10N12O6 — CID 159391166

About 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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 159391166) has the molecular formula C122H110F10N12O6 and a molecular weight of 2030.28 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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: 159391166
• Molecular Formula: C122H110F10N12O6
• Molecular Weight: 2030.28 g/mol
• Exact Mass: 2028.85
• IUPAC Name: 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)n1.Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2ccccc2)n1.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/C31H26F2N2O2.C31H28N2O2.C30H27F5N4O.C30H29F3N4O/c1-19-4-2-3-5-28(19)30-10-11-34-31(35-30)23(12-20-13-24(32)17-25(33)14-20)16-27(37)15-22-7-6-21-8-9-26(36)18-29(21)22;1-21-7-5-6-10-28(21)30-15-16-32-31(33-30)25(17-22-8-3-2-4-9-22)19-27(35)18-24-12-11-23-13-14-26(34)20-29(23)24;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/h2-5,7-11,13-14,17-18,23,36H,6,12,15-16H2,1H3;2-10,12-16,20,25,34H,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: LMDCCHSLHACOBN-UHFFFAOYSA-N
• XLogP: 26.57
• TPSA: 247.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2030.28
LogP ≤ 5	26.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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 159391166) is 5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)n1.Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2ccccc2)n1.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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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 LMDCCHSLHACOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N2O2.C31H28N2O2.C30H27F5N4O.C30H29F3N4O/c1-19-4-2-3-5-28(19)30-10-11-34-31(35-30)23(12-20-13-24(32)17-25(33)14-20)16-27(37)15-22-7-6-21-8-9-26(36)18-29(21)22;1-21-7-5-6-10-28(21)30-15-16-32-31(33-30)25(17-22-8-3-2-4-9-22)19-27(35)18-24-12-11-23-13-14-26(34)20-29(23)24;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/h2-5,7-11,13-14,17-18,23,36H,6,12,15-16H2,1H3;2-10,12-16,20,25,34H,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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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 2030.28 g/mol, XLogP of 26.57, 32 rotatable bonds, 2 hydrogen bond donors, and 18 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)pyrimidin-2-yl]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)pyrimidin-2-yl]-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 159391166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).