tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride

C213H193BBrCl13F35N27O29PS7+ — CID 159498716

About tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride

tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride (PubChem CID 159498716) has the molecular formula C213H193BBrCl13F35N27O29PS7+ and a molecular weight of 5067.03 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride.

Molecular Properties

• Compound Name: tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride
• PubChem CID: 159498716
• Molecular Formula: C213H193BBrCl13F35N27O29PS7+
• Molecular Weight: 5067.03 g/mol
• Exact Mass: 5056.69
• IUPAC Name: tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride
• SMILES: C#CC(C)(O)C(F)F.CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](CC(=O)C(F)(F)F)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](N)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc[n+](O)c3[C@@H](CC(=O)C(F)(F)F)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3cccnc3[C@@H](CC(=O)C(F)(F)F)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3cccnc3[C@@H](CC(=O)OC(C)(C)C)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(B3OC(C)(C)C(C)(C)O3)c21.O=C(O)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C34H26Cl2F7N5O3S.C29H30ClF2N3O4S.C26H20Cl2F5N3O3S.C26H22ClF5N3O4S.C26H21ClF5N3O3S.C23H20Cl2F2N4O2S.C18H19BrF2N2O2.C16H22BClN2O4S.C10H7F5N2O2.C5H6F2O.Cl3OP/c1-47-30-21(3-5-24(35)28(30)25(45-47)14-52(2,50)51)20-4-6-26(36)44-29(20)16(7-15-8-17(37)11-18(38)9-15)10-19(49)13-48-32-27(31(46-48)34(41,42)43)22-12-23(22)33(32,39)40;1-29(2,3)39-25(36)14-18(11-17-12-19(31)15-20(32)13-17)27-21(7-6-10-33-27)22-8-9-23(30)26-24(16-40(5,37)38)34-35(4)28(22)26;1-36-25-18(3-5-19(27)23(25)20(35-36)12-40(2,38)39)17-4-6-22(28)34-24(17)14(10-21(37)26(31,32)33)7-13-8-15(29)11-16(30)9-13;1-34-25-19(5-6-20(27)23(25)21(33-34)13-40(2,38)39)18-4-3-7-35(37)24(18)15(11-22(36)26(30,31)32)8-14-9-16(28)12-17(29)10-14;1-35-25-19(5-6-20(27)23(25)21(34-35)13-39(2,37)38)18-4-3-7-33-24(18)15(11-22(36)26(30,31)32)8-14-9-16(28)12-17(29)10-14;1-31-23-16(3-5-17(24)21(23)19(30-31)11-34(2,32)33)15-4-6-20(25)29-22(15)18(28)9-12-7-13(26)10-14(27)8-12;1-18(2,3)25-17(24)23-15(16-14(19)5-4-6-22-16)9-11-7-12(20)10-13(21)8-11;1-15(2)16(3,4)24-17(23-15)10-7-8-11(18)13-12(9-25(6,21)22)19-20(5)14(10)13;11-9(12)4-1-3(4)6-7(10(13,14)15)16-17(8(6)9)2-5(18)19;1-3-5(2,8)4(6)7;1-5(2,3)4/h3-6,8-9,11,16,22-23H,7,10,12-14H2,1-2H3;6-10,12-13,15,18H,11,14,16H2,1-5H3;3-6,8-9,11,14H,7,10,12H2,1-2H3;3-7,9-10,12,15,37H,8,11,13H2,1-2H3;3-7,9-10,12,15H,8,11,13H2,1-2H3;3-8,10,18H,9,11,28H2,1-2H3;4-8,10,15H,9H2,1-3H3,(H,23,24);7-8H,9H2,1-6H3;3-4H,1-2H2,(H,18,19);1,4,8H,2H3;/q;;;+1;;;;;;;/t16-,22+,23-;18-;14-;2*15-;18-;15-;;3-,4+;;/m1111100.0../s1
• InChIKey: AGPKKYBKQVYPNU-DBSXXZBNSA-N
• XLogP: 49.66
• TPSA: 752.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 53
• Rotatable Bonds: 58
• Heavy Atoms: 327
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5067.03
LogP ≤ 5	49.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride?

The IUPAC name of tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride (CID 159498716) is tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride.

What is the SMILES notation for tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride?

The canonical SMILES for tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride is C#CC(C)(O)C(F)F.CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1Br.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](CC(=O)C(F)(F)F)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc(Cl)nc3[C@@H](N)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3ccc[n+](O)c3[C@@H](CC(=O)C(F)(F)F)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3cccnc3[C@@H](CC(=O)C(F)(F)F)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(-c3cccnc3[C@@H](CC(=O)OC(C)(C)C)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2c(Cl)ccc(B3OC(C)(C)C(C)(C)O3)c21.O=C(O)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.O=P(Cl)(Cl)Cl.

What is the InChIKey of tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride?

The InChIKey is AGPKKYBKQVYPNU-DBSXXZBNSA-N. The full InChI is InChI=1S/C34H26Cl2F7N5O3S.C29H30ClF2N3O4S.C26H20Cl2F5N3O3S.C26H22ClF5N3O4S.C26H21ClF5N3O3S.C23H20Cl2F2N4O2S.C18H19BrF2N2O2.C16H22BClN2O4S.C10H7F5N2O2.C5H6F2O.Cl3OP/c1-47-30-21(3-5-24(35)28(30)25(45-47)14-52(2,50)51)20-4-6-26(36)44-29(20)16(7-15-8-17(37)11-18(38)9-15)10-19(49)13-48-32-27(31(46-48)34(41,42)43)22-12-23(22)33(32,39)40;1-29(2,3)39-25(36)14-18(11-17-12-19(31)15-20(32)13-17)27-21(7-6-10-33-27)22-8-9-23(30)26-24(16-40(5,37)38)34-35(4)28(22)26;1-36-25-18(3-5-19(27)23(25)20(35-36)12-40(2,38)39)17-4-6-22(28)34-24(17)14(10-21(37)26(31,32)33)7-13-8-15(29)11-16(30)9-13;1-34-25-19(5-6-20(27)23(25)21(33-34)13-40(2,38)39)18-4-3-7-35(37)24(18)15(11-22(36)26(30,31)32)8-14-9-16(28)12-17(29)10-14;1-35-25-19(5-6-20(27)23(25)21(34-35)13-39(2,37)38)18-4-3-7-33-24(18)15(11-22(36)26(30,31)32)8-14-9-16(28)12-17(29)10-14;1-31-23-16(3-5-17(24)21(23)19(30-31)11-34(2,32)33)15-4-6-20(25)29-22(15)18(28)9-12-7-13(26)10-14(27)8-12;1-18(2,3)25-17(24)23-15(16-14(19)5-4-6-22-16)9-11-7-12(20)10-13(21)8-11;1-15(2)16(3,4)24-17(23-15)10-7-8-11(18)13-12(9-25(6,21)22)19-20(5)14(10)13;11-9(12)4-1-3(4)6-7(10(13,14)15)16-17(8(6)9)2-5(18)19;1-3-5(2,8)4(6)7;1-5(2,3)4/h3-6,8-9,11,16,22-23H,7,10,12-14H2,1-2H3;6-10,12-13,15,18H,11,14,16H2,1-5H3;3-6,8-9,11,14H,7,10,12H2,1-2H3;3-7,9-10,12,15,37H,8,11,13H2,1-2H3;3-7,9-10,12,15H,8,11,13H2,1-2H3;3-8,10,18H,9,11,28H2,1-2H3;4-8,10,15H,9H2,1-3H3,(H,23,24);7-8H,9H2,1-6H3;3-4H,1-2H2,(H,18,19);1,4,8H,2H3;/q;;;+1;;;;;;;/t16-,22+,23-;18-;14-;2*15-;18-;15-;;3-,4+;;/m1111100.0../s1.

What are the key properties of tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride?

tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride has a molecular weight of 5067.03 g/mol, XLogP of 49.66, 58 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S)-1-(3-bromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate;tert-butyl (3R)-3-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;(1S)-1-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine;(4R)-4-[6-chloro-3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-hydroxypyridin-1-ium-2-yl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1,1,1-trifluoropentan-2-one;4-chloro-1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1,1-difluoro-2-methylbut-3-yn-2-ol;2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;phosphoryl trichloride is sourced from PubChem (CID 159498716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).