(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one

C157H127F31N16O12S — CID 160916030

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2C(CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(C)=O)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CN(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc2ncn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(S(C)(=O)=O)c3)c2cc1C
InChIInChI=1S/2C32H25F8N3O2.C32H29F2N3O3S.C31H25F7N4O2.C30H23F6N3O3/c1-17(44)26-13-19(4-5-27(26)35)24-3-2-8-41-29(24)20(9-18-10-21(33)14-22(34)11-18)12-23(45)16-43-28-15-31(36,37)7-6-25(28)30(42-43)32(38,39)40;1-16(44)24-13-18(4-5-25(24)35)23-3-2-8-41-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(45)15-43-30-27(29(42-43)31(37)38)26(36)6-7-32(30,39)40;1-20-10-30-31(11-21(20)2)37(19-36-30)18-27(38)15-24(12-22-13-25(33)17-26(34)14-22)32-29(8-5-9-35-32)23-6-4-7-28(16-23)41(3,39)40;1-17(43)26-13-19(4-5-27(26)34)24-3-2-7-39-29(24)20(9-18-10-21(32)14-22(33)11-18)12-23(44)15-42-28-16-41(38)8-6-25(28)30(40-42)31(35,36)37;1-16(40)25-12-19(5-6-27(25)33)24-4-3-7-37-28(24)20(8-18-9-21(31)13-22(32)10-18)11-23(42)14-39-15-26(17(2)41)29(38-39)30(34,35)36/h2-5,8,10-11,13-14,20H,6-7,9,12,15-16H2,1H3;2-5,8,10-11,13-14,19,26,31H,6-7,9,12,15H2,1H3;4-11,13-14,16-17,19,24H,12,15,18H2,1-3H3;2-5,7,10-11,13-14,20H,6,8-9,12,15-16H2,1H3;3-7,9-10,12-13,15,20H,8,11,14H2,1-2H3/t20-;;24-;2*20-/m1.111/s1
InChIKeySRKKJWFDSYJRLP-SGPKHJLNSA-N
MW3050.85 g/mol
LogP36.04
Rot. Bonds47

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one (PubChem CID 160916030) has the molecular formula C157H127F31N16O12S and a molecular weight of 3050.85 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one
PubChem CID160916030
Molecular FormulaC157H127F31N16O12S
Molecular Weight3050.85 g/mol
Exact Mass3048.90
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one
SMILESCC(=O)c1cc(-c2cccnc2C(CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(C)=O)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CN(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc2ncn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(S(C)(=O)=O)c3)c2cc1C
InChIInChI=1S/2C32H25F8N3O2.C32H29F2N3O3S.C31H25F7N4O2.C30H23F6N3O3/c1-17(44)26-13-19(4-5-27(26)35)24-3-2-8-41-29(24)20(9-18-10-21(33)14-22(34)11-18)12-23(45)16-43-28-15-31(36,37)7-6-25(28)30(42-43)32(38,39)40;1-16(44)24-13-18(4-5-25(24)35)23-3-2-8-41-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(45)15-43-30-27(29(42-43)31(37)38)26(36)6-7-32(30,39)40;1-20-10-30-31(11-21(20)2)37(19-36-30)18-27(38)15-24(12-22-13-25(33)17-26(34)14-22)32-29(8-5-9-35-32)23-6-4-7-28(16-23)41(3,39)40;1-17(43)26-13-19(4-5-27(26)34)24-3-2-7-39-29(24)20(9-18-10-21(32)14-22(33)11-18)12-23(44)15-42-28-16-41(38)8-6-25(28)30(40-42)31(35,36)37;1-16(40)25-12-19(5-6-27(25)33)24-4-3-7-37-28(24)20(8-18-9-21(31)13-22(32)10-18)11-23(42)14-39-15-26(17(2)41)29(38-39)30(34,35)36/h2-5,8,10-11,13-14,20H,6-7,9,12,15-16H2,1H3;2-5,8,10-11,13-14,19,26,31H,6-7,9,12,15H2,1H3;4-11,13-14,16-17,19,24H,12,15,18H2,1-3H3;2-5,7,10-11,13-14,20H,6,8-9,12,15-16H2,1H3;3-7,9-10,12-13,15,20H,8,11,14H2,1-2H3/t20-;;24-;2*20-/m1.111/s1
InChIKeySRKKJWFDSYJRLP-SGPKHJLNSA-N
XLogP36.04
TPSA361.63 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds47
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003050.85
LogP ≤ 536.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one (CID 160916030) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one is CC(=O)c1cc(-c2cccnc2C(CC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3F)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2cc(C(C)=O)c(C(F)(F)F)n2)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CC(F)(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CN(F)CC3)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc2ncn(CC(=O)C[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3cccc(S(C)(=O)=O)c3)c2cc1C.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
The InChIKey is SRKKJWFDSYJRLP-SGPKHJLNSA-N. The full InChI is InChI=1S/2C32H25F8N3O2.C32H29F2N3O3S.C31H25F7N4O2.C30H23F6N3O3/c1-17(44)26-13-19(4-5-27(26)35)24-3-2-8-41-29(24)20(9-18-10-21(33)14-22(34)11-18)12-23(45)16-43-28-15-31(36,37)7-6-25(28)30(42-43)32(38,39)40;1-16(44)24-13-18(4-5-25(24)35)23-3-2-8-41-28(23)19(9-17-10-20(33)14-21(34)11-17)12-22(45)15-43-30-27(29(42-43)31(37)38)26(36)6-7-32(30,39)40;1-20-10-30-31(11-21(20)2)37(19-36-30)18-27(38)15-24(12-22-13-25(33)17-26(34)14-22)32-29(8-5-9-35-32)23-6-4-7-28(16-23)41(3,39)40;1-17(43)26-13-19(4-5-27(26)34)24-3-2-7-39-29(24)20(9-18-10-21(32)14-22(33)11-18)12-23(44)15-42-28-16-41(38)8-6-25(28)30(40-42)31(35,36)37;1-16(40)25-12-19(5-6-27(25)33)24-4-3-7-37-28(24)20(8-18-9-21(31)13-22(32)10-18)11-23(42)14-39-15-26(17(2)41)29(38-39)30(34,35)36/h2-5,8,10-11,13-14,20H,6-7,9,12,15-16H2,1H3;2-5,8,10-11,13-14,19,26,31H,6-7,9,12,15H2,1H3;4-11,13-14,16-17,19,24H,12,15,18H2,1-3H3;2-5,7,10-11,13-14,20H,6,8-9,12,15-16H2,1H3;3-7,9-10,12-13,15,20H,8,11,14H2,1-2H3/t20-;;24-;2*20-/m1.111/s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one has a molecular weight of 3050.85 g/mol, XLogP of 36.04, 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-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,7,7-trifluoro-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-[6,6-difluoro-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[6-fluoro-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 160916030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).