(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

C153H127ClF24N16O12 — CID 158816120

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)COc2ccnc(Cl)c2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CNC3CC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3O)Cc2cc(F)cc(F)c2)ccc1F.CNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C32H26F7N3O3.C32H28F6N4O2.C30H26F6N4O2.C30H25F2N3O2.C29H22ClF3N2O3/c1-16(43)24-13-18(4-5-25(24)35)23-3-2-8-40-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(44)15-42-30-27(29(41-42)31(36)37)26(45)6-7-32(30,38)39;1-18(43)28-13-20(4-7-29(28)35)27-3-2-8-39-30(27)21(9-19-10-23(33)14-24(34)11-19)12-26(44)17-42-16-22(15-40-25-5-6-25)31(41-42)32(36,37)38;1-17(41)26-12-19(5-6-27(26)33)25-4-3-7-38-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(42)16-40-15-21(14-37-2)29(39-40)30(34,35)36;1-18-2-4-20(5-3-18)27-16-33-17-34-30(27)23(10-19-11-24(31)15-25(32)12-19)14-26(36)13-22-7-6-21-8-9-28(37)35-29(21)22;1-17(36)26-13-19(4-5-27(26)33)25-3-2-7-35-29(25)20(9-18-10-21(31)14-22(32)11-18)12-23(37)16-38-24-6-8-34-28(30)15-24/h2-5,8,10-11,13-14,19,26,31,45H,6-7,9,12,15H2,1H3;2-4,7-8,10-11,13-14,16,21,25,40H,5-6,9,12,15,17H2,1H3;3-7,9-10,12-13,15,20,37H,8,11,14,16H2,1-2H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,37);2-8,10-11,13-15,20H,9,12,16H2,1H3/t19-,26?;21-;20-;23-;20-/m11111/s1
InChIKeyIVHCNUZWMFIWTO-GQVLCVIWSA-N
MW2873.20 g/mol
LogP33.03
Rot. Bonds51

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (PubChem CID 158816120) has the molecular formula C153H127ClF24N16O12 and a molecular weight of 2873.20 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
PubChem CID158816120
Molecular FormulaC153H127ClF24N16O12
Molecular Weight2873.20 g/mol
Exact Mass2870.91
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one
SMILESCC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)COc2ccnc(Cl)c2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CNC3CC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3O)Cc2cc(F)cc(F)c2)ccc1F.CNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C32H26F7N3O3.C32H28F6N4O2.C30H26F6N4O2.C30H25F2N3O2.C29H22ClF3N2O3/c1-16(43)24-13-18(4-5-25(24)35)23-3-2-8-40-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(44)15-42-30-27(29(41-42)31(36)37)26(45)6-7-32(30,38)39;1-18(43)28-13-20(4-7-29(28)35)27-3-2-8-39-30(27)21(9-19-10-23(33)14-24(34)11-19)12-26(44)17-42-16-22(15-40-25-5-6-25)31(41-42)32(36,37)38;1-17(41)26-12-19(5-6-27(26)33)25-4-3-7-38-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(42)16-40-15-21(14-37-2)29(39-40)30(34,35)36;1-18-2-4-20(5-3-18)27-16-33-17-34-30(27)23(10-19-11-24(31)15-25(32)12-19)14-26(36)13-22-7-6-21-8-9-28(37)35-29(21)22;1-17(36)26-13-19(4-5-27(26)33)25-3-2-7-35-29(25)20(9-18-10-21(31)14-22(32)11-18)12-23(37)16-38-24-6-8-34-28(30)15-24/h2-5,8,10-11,13-14,19,26,31,45H,6-7,9,12,15H2,1H3;2-4,7-8,10-11,13-14,16,21,25,40H,5-6,9,12,15,17H2,1H3;3-7,9-10,12-13,15,20,37H,8,11,14,16H2,1-2H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,37);2-8,10-11,13-15,20H,9,12,16H2,1H3/t19-,26?;21-;20-;23-;20-/m11111/s1
InChIKeyIVHCNUZWMFIWTO-GQVLCVIWSA-N
XLogP33.03
TPSA383.70 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds51
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002873.20
LogP ≤ 533.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one (CID 158816120) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)COc2ccnc(Cl)c2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(CNC3CC3)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3O)Cc2cc(F)cc(F)c2)ccc1F.CNCc1cn(CC(=O)C[C@@H](Cc2cc(F)cc(F)c2)c2ncccc2-c2ccc(F)c(C(C)=O)c2)nc1C(F)(F)F.Cc1ccc(-c2cncnc2[C@@H](CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?
The InChIKey is IVHCNUZWMFIWTO-GQVLCVIWSA-N. The full InChI is InChI=1S/C32H26F7N3O3.C32H28F6N4O2.C30H26F6N4O2.C30H25F2N3O2.C29H22ClF3N2O3/c1-16(43)24-13-18(4-5-25(24)35)23-3-2-8-40-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(44)15-42-30-27(29(41-42)31(36)37)26(45)6-7-32(30,38)39;1-18(43)28-13-20(4-7-29(28)35)27-3-2-8-39-30(27)21(9-19-10-23(33)14-24(34)11-19)12-26(44)17-42-16-22(15-40-25-5-6-25)31(41-42)32(36,37)38;1-17(41)26-12-19(5-6-27(26)33)25-4-3-7-38-28(25)20(8-18-9-22(31)13-23(32)10-18)11-24(42)16-40-15-21(14-37-2)29(39-40)30(34,35)36;1-18-2-4-20(5-3-18)27-16-33-17-34-30(27)23(10-19-11-24(31)15-25(32)12-19)14-26(36)13-22-7-6-21-8-9-28(37)35-29(21)22;1-17(36)26-13-19(4-5-27(26)33)25-3-2-7-35-29(25)20(9-18-10-21(31)14-22(32)11-18)12-23(37)16-38-24-6-8-34-28(30)15-24/h2-5,8,10-11,13-14,19,26,31,45H,6-7,9,12,15H2,1H3;2-4,7-8,10-11,13-14,16,21,25,40H,5-6,9,12,15,17H2,1H3;3-7,9-10,12-13,15,20,37H,8,11,14,16H2,1-2H3;2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3,(H,35,37);2-8,10-11,13-15,20H,9,12,16H2,1H3/t19-,26?;21-;20-;23-;20-/m11111/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one has a molecular weight of 2873.20 g/mol, XLogP of 33.03, 51 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[(2-chloro-4-pyridinyl)oxy]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-(methylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;7-[(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 158816120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).