1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide

C160H122ClF25N18O9S — CID 162207362

IUPAC1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1Cl.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(S(C)(=O)=O)cc2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2ncccc2c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2ccccc12
InChIInChI=1S/C33H24F6N4O.C32H25ClF3N3O.C32H23F8N3O3.C32H23F6N5O.C31H27F2N3O3S/c34-19-11-17(12-20(35)14-19)13-26(29-23(9-4-10-40-29)22-8-3-6-18-5-1-2-7-21(18)22)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;1-18(37)28-14-20(4-6-30(28)33)27-3-2-8-38-32(27)21(9-19-10-24(35)15-25(36)11-19)12-26(40)13-22-17-39-31-7-5-23(34)16-29(22)31;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)15-43-29-26(46)6-7-31(36,37)27(29)30(42-43)32(38,39)40;33-19-9-16(10-20(34)13-19)11-25(28-21(4-2-8-40-28)17-5-6-24-18(12-17)3-1-7-39-24)41-26(44)15-43-30-27(29(42-43)31(35)36)22-14-23(22)32(30,37)38;1-19-12-20(14-24(33)13-19)15-29(36-30(37)16-22-18-35-28-10-7-23(32)17-27(22)28)31-26(4-3-11-34-31)21-5-8-25(9-6-21)40(2,38)39/h1-12,14,24-26,32H,13,15-16H2,(H,41,44);2-8,10-11,14-17,21,39H,1,9,12-13,37H2;2-5,8,10-11,13-14,19H,6-7,9,12,15H2,1H3;1-10,12-13,22-23,25,31H,11,14-15H2,(H,41,44);3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37)/t24?,25?,26-;21-;19-;22?,23?,25-;29-/m01100/s1
InChIKeyZSJLOQHLFFFNTG-OJBSIGLBSA-N
MW2983.32 g/mol
LogP35.90
Rot. Bonds42

About 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide

1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 162207362) has the molecular formula C160H122ClF25N18O9S and a molecular weight of 2983.32 g/mol. Its IUPAC name is 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide
PubChem CID162207362
Molecular FormulaC160H122ClF25N18O9S
Molecular Weight2983.32 g/mol
Exact Mass2980.87
IUPAC Name1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1Cl.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(S(C)(=O)=O)cc2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2ncccc2c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2ccccc12
InChIInChI=1S/C33H24F6N4O.C32H25ClF3N3O.C32H23F8N3O3.C32H23F6N5O.C31H27F2N3O3S/c34-19-11-17(12-20(35)14-19)13-26(29-23(9-4-10-40-29)22-8-3-6-18-5-1-2-7-21(18)22)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;1-18(37)28-14-20(4-6-30(28)33)27-3-2-8-38-32(27)21(9-19-10-24(35)15-25(36)11-19)12-26(40)13-22-17-39-31-7-5-23(34)16-29(22)31;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)15-43-29-26(46)6-7-31(36,37)27(29)30(42-43)32(38,39)40;33-19-9-16(10-20(34)13-19)11-25(28-21(4-2-8-40-28)17-5-6-24-18(12-17)3-1-7-39-24)41-26(44)15-43-30-27(29(42-43)31(35)36)22-14-23(22)32(30,37)38;1-19-12-20(14-24(33)13-19)15-29(36-30(37)16-22-18-35-28-10-7-23(32)17-27(22)28)31-26(4-3-11-34-31)21-5-8-25(9-6-21)40(2,38)39/h1-12,14,24-26,32H,13,15-16H2,(H,41,44);2-8,10-11,14-17,21,39H,1,9,12-13,37H2;2-5,8,10-11,13-14,19H,6-7,9,12,15H2,1H3;1-10,12-13,22-23,25,31H,11,14-15H2,(H,41,44);3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37)/t24?,25?,26-;21-;19-;22?,23?,25-;29-/m01100/s1
InChIKeyZSJLOQHLFFFNTG-OJBSIGLBSA-N
XLogP35.90
TPSA378.12 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002983.32
LogP ≤ 535.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide (CID 162207362) is 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1Cl.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2C(=O)CCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(S(C)(=O)=O)cc2)c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2ncccc2c1.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cccc2ccccc12.
What is the InChIKey of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is ZSJLOQHLFFFNTG-OJBSIGLBSA-N. The full InChI is InChI=1S/C33H24F6N4O.C32H25ClF3N3O.C32H23F8N3O3.C32H23F6N5O.C31H27F2N3O3S/c34-19-11-17(12-20(35)14-19)13-26(29-23(9-4-10-40-29)22-8-3-6-18-5-1-2-7-21(18)22)41-27(44)16-43-31-28(30(42-43)32(36)37)24-15-25(24)33(31,38)39;1-18(37)28-14-20(4-6-30(28)33)27-3-2-8-38-32(27)21(9-19-10-24(35)15-25(36)11-19)12-26(40)13-22-17-39-31-7-5-23(34)16-29(22)31;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)15-43-29-26(46)6-7-31(36,37)27(29)30(42-43)32(38,39)40;33-19-9-16(10-20(34)13-19)11-25(28-21(4-2-8-40-28)17-5-6-24-18(12-17)3-1-7-39-24)41-26(44)15-43-30-27(29(42-43)31(35)36)22-14-23(22)32(30,37)38;1-19-12-20(14-24(33)13-19)15-29(36-30(37)16-22-18-35-28-10-7-23(32)17-27(22)28)31-26(4-3-11-34-31)21-5-8-25(9-6-21)40(2,38)39/h1-12,14,24-26,32H,13,15-16H2,(H,41,44);2-8,10-11,14-17,21,39H,1,9,12-13,37H2;2-5,8,10-11,13-14,19H,6-7,9,12,15H2,1H3;1-10,12-13,22-23,25,31H,11,14-15H2,(H,41,44);3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37)/t24?,25?,26-;21-;19-;22?,23?,25-;29-/m01100/s1.
What are the key properties of 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide?
1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 2983.32 g/mol, XLogP of 35.90, 42 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 162207362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).