(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one

C159H132F18N14O10 — CID 158590077

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one (PubChem CID 158590077) has the molecular formula C159H132F18N14O10 and a molecular weight of 2740.86 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
• PubChem CID: 158590077
• Molecular Formula: C159H132F18N14O10
• Molecular Weight: 2740.86 g/mol
• Exact Mass: 2739.00
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3ccccc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2c(C(F)(F)F)nc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)cc2C2CC2)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cncnc2[C@@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)cc1
• InChI: InChI=1S/C34H27F6N3O2.C32H25F3N2O3.C31H26F5N3O2.C31H28F2N4O.C31H26F2N2O2/c1-18-9-30-31(10-19(18)2)43(33(42-30)34(38,39)40)17-26(45)14-23(11-21-12-24(35)16-25(36)13-21)32-27(5-4-8-41-32)22-6-7-29(37)28(15-22)20(3)44;1-19(38)28-15-21(8-9-29(28)35)27-6-4-10-36-32(27)23(11-20-12-24(33)17-25(34)13-20)14-26(39)18-37-30-7-3-2-5-22(30)16-31(37)40;1-17(40)26-13-20(6-7-27(26)34)25-3-2-8-37-30(25)21(9-18-10-22(32)14-23(33)11-18)12-24(41)16-39-29(19-4-5-19)15-28(38-39)31(35)36;1-19-4-6-23(7-5-19)28-15-34-17-35-31(28)24(10-22-11-25(32)14-26(33)12-22)13-27(38)16-37-18-36-29-8-20(2)21(3)9-30(29)37;1-19-2-4-22(5-3-19)30-17-34-18-35-31(30)24(10-20-11-25(32)15-26(33)12-20)14-28(37)13-23-7-6-21-8-9-27(36)16-29(21)23/h4-10,12-13,15-16,23H,11,14,17H2,1-3H3;2-10,12-13,15,17,23H,11,14,16,18H2,1H3;2-3,6-8,10-11,13-15,19,21,31H,4-5,9,12,16H2,1H3;4-9,11-12,14-15,17-18,24H,10,13,16H2,1-3H3;2-5,7-9,11-12,15-18,24,36H,6,10,13-14H2,1H3/t2*23-;21-;2*24-/m11111/s1
• InChIKey: HUIJCNKAWZQYNN-ZRTFJXAFSA-N
• XLogP: 35.38
• TPSA: 320.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 45
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.86
LogP ≤ 5	35.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one (CID 158590077) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)CN2C(=O)Cc3ccccc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2c(C(F)(F)F)nc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)cc2C2CC2)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2cncnc2[C@@H](CC(=O)Cn2cnc3cc(C)c(C)cc32)Cc2cc(F)cc(F)c2)cc1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

The InChIKey is HUIJCNKAWZQYNN-ZRTFJXAFSA-N. The full InChI is InChI=1S/C34H27F6N3O2.C32H25F3N2O3.C31H26F5N3O2.C31H28F2N4O.C31H26F2N2O2/c1-18-9-30-31(10-19(18)2)43(33(42-30)34(38,39)40)17-26(45)14-23(11-21-12-24(35)16-25(36)13-21)32-27(5-4-8-41-32)22-6-7-29(37)28(15-22)20(3)44;1-19(38)28-15-21(8-9-29(28)35)27-6-4-10-36-32(27)23(11-20-12-24(33)17-25(34)13-20)14-26(39)18-37-30-7-3-2-5-22(30)16-31(37)40;1-17(40)26-13-20(6-7-27(26)34)25-3-2-8-37-30(25)21(9-18-10-22(32)14-23(33)11-18)12-24(41)16-39-29(19-4-5-19)15-28(38-39)31(35)36;1-19-4-6-23(7-5-19)28-15-34-17-35-31(28)24(10-22-11-25(32)14-26(33)12-22)13-27(38)16-37-18-36-29-8-20(2)21(3)9-30(29)37;1-19-2-4-22(5-3-19)30-17-34-18-35-31(30)24(10-20-11-25(32)15-26(33)12-20)14-28(37)13-23-7-6-21-8-9-27(36)16-29(21)23/h4-10,12-13,15-16,23H,11,14,17H2,1-3H3;2-10,12-13,15,17,23H,11,14,16,18H2,1H3;2-3,6-8,10-11,13-15,19,21,31H,4-5,9,12,16H2,1H3;4-9,11-12,14-15,17-18,24H,10,13,16H2,1-3H3;2-5,7-9,11-12,15-18,24,36H,6,10,13-14H2,1H3/t2*23-;21-;2*24-/m11111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one has a molecular weight of 2740.86 g/mol, XLogP of 35.38, 45 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3H-indol-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one is sourced from PubChem (CID 158590077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).