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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;phosphoryl trichloride (PubChem CID 157403929) has the molecular formula C141H133BBrCl9F19N16O21PS5
and a molecular weight of 3349.77 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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;phosphoryl trichloride.
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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;phosphoryl trichloride (CID 157403929) 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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;phosphoryl trichloride is 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[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=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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;phosphoryl trichloride?
The InChIKey is BNMLVNSWWPSHDR-DOLOZDNBSA-N. The full InChI is InChI=1S/C29H30ClF2N3O4S.C26H20Cl2F5N3O3S.C26H21ClF5N3O4S.C26H21ClF5N3O3S.C18H19BrF2N2O2.C16H22BClN2O4S.Cl3OP/c1-29(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;1-18(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;1-5(2,3)4/h6-10,12-13,15,18H,11,14,16H2,1-5H3;3-6,8-9,11,14H,7,10,12H2,1-2H3;3-7,9-10,12,15H,8,11,13H2,1-2H3;3-7,9-10,12,15H,8,11,13H2,1-2H3;4-8,10,15H,9H2,1-3H3,(H,23,24);7-8H,9H2,1-6H3;/t18-;14-;3*15-;;/m11110../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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;phosphoryl trichloride has a molecular weight of 3349.77 g/mol, XLogP of 33.75, 39 rotatable bonds, 1 hydrogen bond donors, and 35 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)-1,1,1-trifluoropentan-2-one;(4R)-4-[3-[4-chloro-1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-1-oxidopyridin-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;phosphoryl trichloride is sourced from PubChem (CID 157403929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).