(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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one

C126H104BrCl2F14N13O8 — CID 158770085

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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one (PubChem CID 158770085) has the molecular formula C126H104BrCl2F14N13O8 and a molecular weight of 2345.08 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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one
• PubChem CID: 158770085
• Molecular Formula: C126H104BrCl2F14N13O8
• Molecular Weight: 2345.08 g/mol
• Exact Mass: 2341.65
• 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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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)CC3Cl)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/C34H30ClF6N3O2.C33H28F2N2O2.C30H22ClF3N4O2.C29H24BrF3N4O2/c1-18(45)26-13-20(6-7-28(26)38)25-5-4-8-42-31(25)21(9-19-10-22(36)14-23(37)11-19)12-24(46)17-44-29-16-33(2,3)15-27(35)30(29)32(43-44)34(39,40)41;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(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/h4-8,10-11,13-14,21,27H,9,12,15-17H2,1-3H3;3-13,15-17,19,27H,14,18,20H2,1-2H3;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?;27-;2*20-/m1111/s1
• InChIKey: IPTHVMGQYBNJPD-AZUQZSEFSA-N
• XLogP: 29.64
• TPSA: 272.29 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 37
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2345.08
LogP ≤ 5	29.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one (CID 158770085) 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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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)CC3Cl)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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one?

The InChIKey is IPTHVMGQYBNJPD-AZUQZSEFSA-N. The full InChI is InChI=1S/C34H30ClF6N3O2.C33H28F2N2O2.C30H22ClF3N4O2.C29H24BrF3N4O2/c1-18(45)26-13-20(6-7-28(26)38)25-5-4-8-42-31(25)21(9-19-10-22(36)14-23(37)11-19)12-24(46)17-44-29-16-33(2,3)15-27(35)30(29)32(43-44)34(39,40)41;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(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/h4-8,10-11,13-14,21,27H,9,12,15-17H2,1-3H3;3-13,15-17,19,27H,14,18,20H2,1-2H3;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?;27-;2*20-/m1111/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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one has a molecular weight of 2345.08 g/mol, XLogP of 29.64, 37 rotatable bonds, 0 hydrogen bond donors, and 21 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-chloro-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-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;(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(2-methylindol-1-yl)pentan-2-one is sourced from PubChem (CID 158770085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).