(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide

C153H134F9N13O10 — CID 157220267

About (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide (PubChem CID 157220267) has the molecular formula C153H134F9N13O10 and a molecular weight of 2485.82 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide.

Molecular Properties

• Compound Name: (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide
• PubChem CID: 157220267
• Molecular Formula: C153H134F9N13O10
• Molecular Weight: 2485.82 g/mol
• Exact Mass: 2484.02
• IUPAC Name: (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide
• SMILES: COc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccccc1-c1cccnc1[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1cccnc1[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)n1.Cc1ccccc1-c1ccnc(C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)n1
• InChI: InChI=1S/C32H27F2NO3.C31H26F2N2O2.C30H27F5N4O.2C30H27N3O2/c1-38-29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23;1-19-4-2-3-5-28(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;1-18-6-2-3-7-24(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;2*1-20-8-5-6-11-24(20)25-12-7-15-31-30(25)28(16-21-9-3-2-4-10-21)33-29(35)17-22-19-32-27-14-13-23(34)18-26(22)27/h2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3;2-5,7-11,13-14,17-18,23,36H,6,12,15-16H2,1H3;2-3,6-7,10-11,13-14,16,20H,4-5,8-9,12,15,17H2,1H3;2*2-15,18-19,28,32,34H,16-17H2,1H3,(H,33,35)/t24-;;;2*28-/m1..10/s1
• InChIKey: ASXBNFJBSLPFAE-VYABWIPJSA-N
• XLogP: 32.39
• TPSA: 339.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2485.82
LogP ≤ 5	32.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide?

The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide (CID 157220267) is (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide.

What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide?

The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide is COc1ccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccccc1-c1cccnc1[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1cccnc1[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ccc(O)cc12.Cc1ccccc1-c1ccnc(C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)n1.Cc1ccccc1-c1ccnc(C(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)Cc2cc(F)cc(F)c2)n1.

What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide?

The InChIKey is ASXBNFJBSLPFAE-VYABWIPJSA-N. The full InChI is InChI=1S/C32H27F2NO3.C31H26F2N2O2.C30H27F5N4O.2C30H27N3O2/c1-38-29-10-7-21(8-11-29)30-3-2-12-35-32(30)24(13-20-14-25(33)18-26(34)15-20)17-28(37)16-23-5-4-22-6-9-27(36)19-31(22)23;1-19-4-2-3-5-28(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;1-18-6-2-3-7-24(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;2*1-20-8-5-6-11-24(20)25-12-7-15-31-30(25)28(16-21-9-3-2-4-10-21)33-29(35)17-22-19-32-27-14-13-23(34)18-26(22)27/h2-3,5-12,14-15,18-19,24,36H,4,13,16-17H2,1H3;2-5,7-11,13-14,17-18,23,36H,6,12,15-16H2,1H3;2-3,6-7,10-11,13-14,16,20H,4-5,8-9,12,15,17H2,1H3;2*2-15,18-19,28,32,34H,16-17H2,1H3,(H,33,35)/t24-;;;2*28-/m1..10/s1.

What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide?

(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide has a molecular weight of 2485.82 g/mol, XLogP of 32.39, 39 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]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;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide is sourced from PubChem (CID 157220267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).