(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

C144H131F12N17O11 — CID 158246255

About (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one

(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (PubChem CID 158246255) has the molecular formula C144H131F12N17O11 and a molecular weight of 2503.72 g/mol. Its IUPAC name is (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.

Molecular Properties

• Compound Name: (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• PubChem CID: 158246255
• Molecular Formula: C144H131F12N17O11
• Molecular Weight: 2503.72 g/mol
• Exact Mass: 2502.00
• IUPAC Name: (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
• SMILES: COc1ccc(-n2ccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.COc1ccc(-n2ccnc2[C@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.COc1ccc(-n2ccnc2[C@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1.Cc1nnc(C(CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2ccccc2)n1-c1ccccc1.O=C(CC(Cc1ccccc1)c1cnnn1-c1ccccc1)Cn1nc(C(F)(F)F)c2c1CCCC2
• InChI: InChI=1S/2C30H26F2N2O3.C29H27F5N4O2.C28H26N4O2.C27H26F3N5O/c2*1-37-28-8-5-25(6-9-28)34-11-10-33-30(34)22(12-19-13-23(31)17-24(32)14-19)16-27(36)15-21-3-2-20-4-7-26(35)18-29(20)21;1-40-24-8-6-22(7-9-24)37-11-10-35-28(37)19(12-18-13-20(30)16-21(31)14-18)15-23(39)17-38-26-5-3-2-4-25(26)27(36-38)29(32,33)34;1-19-30-31-28(32(19)23-10-6-3-7-11-23)21(14-20-8-4-2-5-9-20)15-25(34)16-22-18-29-27-13-12-24(33)17-26(22)27;28-27(29,30)26-23-13-7-8-14-24(23)34(32-26)18-22(36)16-20(15-19-9-3-1-4-10-19)25-17-31-33-35(25)21-11-5-2-6-12-21/h2*3-11,13-14,17-18,22,35H,2,12,15-16H2,1H3;6-11,13-14,16,19H,2-5,12,15,17H2,1H3;2-13,17-18,21,29,33H,14-16H2,1H3;1-6,9-12,17,20H,7-8,13-16,18H2/t2*22-;19-;;/m100../s1
• InChIKey: GGDOFQZZTZXTOO-ZDHCIHHPSA-N
• XLogP: 29.24
• TPSA: 340.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 43
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.72
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

The IUPAC name of (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one (CID 158246255) is (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one.

What is the SMILES notation for (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

The canonical SMILES for (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is COc1ccc(-n2ccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.COc1ccc(-n2ccnc2[C@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.COc1ccc(-n2ccnc2[C@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)cc1.Cc1nnc(C(CC(=O)Cc2c[nH]c3ccc(O)cc23)Cc2ccccc2)n1-c1ccccc1.O=C(CC(Cc1ccccc1)c1cnnn1-c1ccccc1)Cn1nc(C(F)(F)F)c2c1CCCC2.

What is the InChIKey of (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

The InChIKey is GGDOFQZZTZXTOO-ZDHCIHHPSA-N. The full InChI is InChI=1S/2C30H26F2N2O3.C29H27F5N4O2.C28H26N4O2.C27H26F3N5O/c2*1-37-28-8-5-25(6-9-28)34-11-10-33-30(34)22(12-19-13-23(31)17-24(32)14-19)16-27(36)15-21-3-2-20-4-7-26(35)18-29(20)21;1-40-24-8-6-22(7-9-24)37-11-10-35-28(37)19(12-18-13-20(30)16-21(31)14-18)15-23(39)17-38-26-5-3-2-4-25(26)27(36-38)29(32,33)34;1-19-30-31-28(32(19)23-10-6-3-7-11-23)21(14-20-8-4-2-5-9-20)15-25(34)16-22-18-29-27-13-12-24(33)17-26(22)27;28-27(29,30)26-23-13-7-8-14-24(23)34(32-26)18-22(36)16-20(15-19-9-3-1-4-10-19)25-17-31-33-35(25)21-11-5-2-6-12-21/h2*3-11,13-14,17-18,22,35H,2,12,15-16H2,1H3;6-11,13-14,16,19H,2-5,12,15,17H2,1H3;2-13,17-18,21,29,33H,14-16H2,1H3;1-6,9-12,17,20H,7-8,13-16,18H2/t2*22-;19-;;/m100../s1.

What are the key properties of (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one?

(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one has a molecular weight of 2503.72 g/mol, XLogP of 29.24, 43 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one is sourced from PubChem (CID 158246255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).