(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one

C158H129BrClF19N16O12 — CID 161045022

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one (PubChem CID 161045022) has the molecular formula C158H129BrClF19N16O12 and a molecular weight of 2920.19 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one.

Molecular Properties

• Compound Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one
• PubChem CID: 161045022
• Molecular Formula: C158H129BrClF19N16O12
• Molecular Weight: 2920.19 g/mol
• Exact Mass: 2916.85
• IUPAC Name: (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one
• SMILES: CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cnc3c(Cl)nccc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(Br)nc2C2CC2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(=O)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2c(C)cc3ccccc32)Cc2cc(F)cc(F)c2)c1
• InChI: InChI=1S/C34H29F6N3O3.C33H28F2N2O2.C32H26F5N3O3.C30H22ClF3N4O2.C29H24BrF3N4O2/c1-18(44)26-13-20(6-7-27(26)37)25-5-4-8-41-31(25)21(9-19-10-22(35)14-23(36)11-19)12-24(45)17-43-28-15-33(2,3)16-29(46)30(28)32(42-43)34(38,39)40;1-21-13-26-7-3-4-11-32(26)37(21)20-30(39)18-27(14-23-15-28(34)19-29(35)16-23)33-31(10-6-12-36-33)25-9-5-8-24(17-25)22(2)38;1-17(41)26-14-19(7-8-27(26)35)24-5-3-9-38-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(42)16-40-31-25(4-2-6-28(31)43)30(39-40)32(36)37;1-17(39)25-13-19(4-5-26(25)34)24-3-2-7-35-28(24)20(9-18-10-21(32)14-22(33)11-18)12-23(40)15-38-16-37-29-27(38)6-8-36-30(29)31;1-16(38)25-13-19(6-7-26(25)33)24-3-2-8-34-27(24)20(9-17-10-21(31)14-22(32)11-17)12-23(39)15-37-28(18-4-5-18)35-29(30)36-37/h4-8,10-11,13-14,21H,9,12,15-17H2,1-3H3;3-13,15-17,19,27H,14,18,20H2,1-2H3;3,5,7-9,11-12,14-15,20,32H,2,4,6,10,13,16H2,1H3;2-8,10-11,13-14,16,20H,9,12,15H2,1H3;2-3,6-8,10-11,13-14,18,20H,4-5,9,12,15H2,1H3/t21-;27-;3*20-/m11111/s1
• InChIKey: UBJUWDXUQDEKSZ-HBQKLFBSSA-N
• XLogP: 35.55
• TPSA: 371.28 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 47
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2920.19
LogP ≤ 5	35.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one?

The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one (CID 161045022) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one.

What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one?

The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cnc3c(Cl)nccc32)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(Br)nc2C2CC2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(C)(C)CC3=O)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(=O)CCC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)Cn2c(C)cc3ccccc32)Cc2cc(F)cc(F)c2)c1.

What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one?

The InChIKey is UBJUWDXUQDEKSZ-HBQKLFBSSA-N. The full InChI is InChI=1S/C34H29F6N3O3.C33H28F2N2O2.C32H26F5N3O3.C30H22ClF3N4O2.C29H24BrF3N4O2/c1-18(44)26-13-20(6-7-27(26)37)25-5-4-8-41-31(25)21(9-19-10-22(35)14-23(36)11-19)12-24(45)17-43-28-15-33(2,3)16-29(46)30(28)32(42-43)34(38,39)40;1-21-13-26-7-3-4-11-32(26)37(21)20-30(39)18-27(14-23-15-28(34)19-29(35)16-23)33-31(10-6-12-36-33)25-9-5-8-24(17-25)22(2)38;1-17(41)26-14-19(7-8-27(26)35)24-5-3-9-38-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(42)16-40-31-25(4-2-6-28(31)43)30(39-40)32(36)37;1-17(39)25-13-19(4-5-26(25)34)24-3-2-7-35-28(24)20(9-18-10-21(32)14-22(33)11-18)12-23(40)15-38-16-37-29-27(38)6-8-36-30(29)31;1-16(38)25-13-19(6-7-26(25)33)24-3-2-8-34-27(24)20(9-17-10-21(31)14-22(32)11-17)12-23(39)15-37-28(18-4-5-18)35-29(30)36-37/h4-8,10-11,13-14,21H,9,12,15-17H2,1-3H3;3-13,15-17,19,27H,14,18,20H2,1-2H3;3,5,7-9,11-12,14-15,20,32H,2,4,6,10,13,16H2,1H3;2-8,10-11,13-14,16,20H,9,12,15H2,1H3;2-3,6-8,10-11,13-14,18,20H,4-5,9,12,15H2,1H3/t21-;27-;3*20-/m11111/s1.

What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one?

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one has a molecular weight of 2920.19 g/mol, XLogP of 35.55, 47 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(3-bromo-5-cyclopropyl-1,2,4-triazol-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-(4-chloroimidazo[4,5-c]pyridin-1-yl)-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(difluoromethyl)-5,6-dihydro-4H-indazol-7-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindazol-4-one;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one is sourced from PubChem (CID 161045022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).