(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one

C158H127BrF18N18O8S — CID 160864211

IUPAC(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(Br)cc23)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2cn(S(C)(=O)=O)c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.O=C(Cc1c[nH]c2ccc(F)cc12)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)=NCN=2.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)CCCN2
InChIInChI=1S/C33H27F4N3O3S.C32H25BrF3N3O.C31H26F6N6O.C31H23F3N4O.C31H26F2N2O2/c1-19(38)29-15-21(5-7-31(29)37)28-4-3-9-39-33(28)22(10-20-11-25(35)16-26(36)12-20)13-27(41)14-23-18-40(44(2,42)43)32-8-6-24(34)17-30(23)32;1-18(37)28-14-20(4-6-30(28)36)27-3-2-8-38-32(27)21(9-19-10-24(34)16-25(35)11-19)12-26(40)13-22-17-39-31-7-5-23(33)15-29(22)31;32-18-7-15(8-19(33)11-18)9-23(26-20(4-2-5-38-26)17-10-16-3-1-6-39-30(16)40-13-17)41-24(44)14-43-28-25(27(42-43)29(34)35)21-12-22(21)31(28,36)37;32-22-4-6-28-27(15-22)21(16-36-28)12-25(39)11-20(8-18-9-23(33)14-24(34)10-18)31-26(2-1-7-35-31)19-3-5-29-30(13-19)38-17-37-29;1-19-2-4-22(5-3-19)30-31(35-11-10-34-30)24(12-20-13-25(32)17-26(33)14-20)16-28(37)15-23-7-6-21-8-9-27(36)18-29(21)23/h3-9,11-12,15-18,22H,1,10,13-14,38H2,2H3;2-8,10-11,14-17,21,39H,1,9,12-13,37H2;2,4-5,7-8,10-11,13,21-23,29H,1,3,6,9,12,14H2,(H,39,40)(H,41,44);1-7,9-10,13-16,20,36H,8,11-12,17H2;2-5,7-11,13-14,17-18,24,36H,6,12,15-16H2,1H3/t22-;21-;21?,22?,23-;20-;/m1101./s1
InChIKeySKWTYSGWQSFYPX-DQPWANBCSA-N
MW2859.81 g/mol
LogP32.75
Rot. Bonds43

About (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one (PubChem CID 160864211) has the molecular formula C158H127BrF18N18O8S and a molecular weight of 2859.81 g/mol. Its IUPAC name is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one
PubChem CID160864211
Molecular FormulaC158H127BrF18N18O8S
Molecular Weight2859.81 g/mol
Exact Mass2856.87
IUPAC Name(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one
SMILESC=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(Br)cc23)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2cn(S(C)(=O)=O)c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.O=C(Cc1c[nH]c2ccc(F)cc12)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)=NCN=2.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)CCCN2
InChIInChI=1S/C33H27F4N3O3S.C32H25BrF3N3O.C31H26F6N6O.C31H23F3N4O.C31H26F2N2O2/c1-19(38)29-15-21(5-7-31(29)37)28-4-3-9-39-33(28)22(10-20-11-25(35)16-26(36)12-20)13-27(41)14-23-18-40(44(2,42)43)32-8-6-24(34)17-30(23)32;1-18(37)28-14-20(4-6-30(28)36)27-3-2-8-38-32(27)21(9-19-10-24(34)16-25(35)11-19)12-26(40)13-22-17-39-31-7-5-23(33)15-29(22)31;32-18-7-15(8-19(33)11-18)9-23(26-20(4-2-5-38-26)17-10-16-3-1-6-39-30(16)40-13-17)41-24(44)14-43-28-25(27(42-43)29(34)35)21-12-22(21)31(28,36)37;32-22-4-6-28-27(15-22)21(16-36-28)12-25(39)11-20(8-18-9-23(33)14-24(34)10-18)31-26(2-1-7-35-31)19-3-5-29-30(13-19)38-17-37-29;1-19-2-4-22(5-3-19)30-31(35-11-10-34-30)24(12-20-13-25(32)17-26(33)14-20)16-28(37)15-23-7-6-21-8-9-27(36)18-29(21)23/h3-9,11-12,15-18,22H,1,10,13-14,38H2,2H3;2-8,10-11,14-17,21,39H,1,9,12-13,37H2;2,4-5,7-8,10-11,13,21-23,29H,1,3,6,9,12,14H2,(H,39,40)(H,41,44);1-7,9-10,13-16,20,36H,8,11-12,17H2;2-5,7-11,13-14,17-18,24,36H,6,12,15-16H2,1H3/t22-;21-;21?,22?,23-;20-;/m1101./s1
InChIKeySKWTYSGWQSFYPX-DQPWANBCSA-N
XLogP32.75
TPSA385.10 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds43
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002859.81
LogP ≤ 532.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
The IUPAC name of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one (CID 160864211) is (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one.
What is the SMILES notation for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
The canonical SMILES for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one is C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2c[nH]c3ccc(Br)cc23)Cc2cc(F)cc(F)c2)ccc1F.C=C(N)c1cc(-c2cccnc2[C@@H](CC(=O)Cc2cn(S(C)(=O)=O)c3ccc(F)cc23)Cc2cc(F)cc(F)c2)ccc1F.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.O=C(Cc1c[nH]c2ccc(F)cc12)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)=NCN=2.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)CCCN2.
What is the InChIKey of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
The InChIKey is SKWTYSGWQSFYPX-DQPWANBCSA-N. The full InChI is InChI=1S/C33H27F4N3O3S.C32H25BrF3N3O.C31H26F6N6O.C31H23F3N4O.C31H26F2N2O2/c1-19(38)29-15-21(5-7-31(29)37)28-4-3-9-39-33(28)22(10-20-11-25(35)16-26(36)12-20)13-27(41)14-23-18-40(44(2,42)43)32-8-6-24(34)17-30(23)32;1-18(37)28-14-20(4-6-30(28)36)27-3-2-8-38-32(27)21(9-19-10-24(34)16-25(35)11-19)12-26(40)13-22-17-39-31-7-5-23(33)15-29(22)31;32-18-7-15(8-19(33)11-18)9-23(26-20(4-2-5-38-26)17-10-16-3-1-6-39-30(16)40-13-17)41-24(44)14-43-28-25(27(42-43)29(34)35)21-12-22(21)31(28,36)37;32-22-4-6-28-27(15-22)21(16-36-28)12-25(39)11-20(8-18-9-23(33)14-24(34)10-18)31-26(2-1-7-35-31)19-3-5-29-30(13-19)38-17-37-29;1-19-2-4-22(5-3-19)30-31(35-11-10-34-30)24(12-20-13-25(32)17-26(33)14-20)16-28(37)15-23-7-6-21-8-9-27(36)18-29(21)23/h3-9,11-12,15-18,22H,1,10,13-14,38H2,2H3;2-8,10-11,14-17,21,39H,1,9,12-13,37H2;2,4-5,7-8,10-11,13,21-23,29H,1,3,6,9,12,14H2,(H,39,40)(H,41,44);1-7,9-10,13-16,20,36H,8,11-12,17H2;2-5,7-11,13-14,17-18,24,36H,6,12,15-16H2,1H3/t22-;21-;21?,22?,23-;20-;/m1101./s1.
What are the key properties of (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one?
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one has a molecular weight of 2859.81 g/mol, XLogP of 32.75, 43 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-1-(5-bromo-1H-indol-3-yl)-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1-methylsulfonylindol-3-yl)pentan-2-one;(4R)-4-[3-(2H-benzimidazol-5-yl)-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-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-2-pyridinyl]ethyl]acetamide;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one is sourced from PubChem (CID 160864211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).