tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate

C140H170Br3Cl3F12N12O16Si3 — CID 157131366

IUPACtert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate
SMILESC.C#CC(C)(C)O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(C#CC(C)(C)O[Si](C)(C)C(C)(C)C)ccc1Br.COC(=O)Cc1nn(C)c2c(-c3ccc(C#CC(C)(C)O)nc3[C@@H](N)Cc3cc(F)cc(F)c3)ccc(Cl)c12.COC(=O)Cl.Cn1nc(N)c2c(Cl)ccc(-c3ccc(C#CC(C)(C)O[Si](C)(C)C(C)(C)C)nc3[C@@H](CC(=O)OC(C)(C)C)Cc3cc(F)cc(F)c3)c21.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21
InChIInChI=1S/C38H47ClF2N4O3Si.C30H40BrF2NO3Si.C29H27ClF2N4O3.C19H19Br2F2NO2.C11H22OSi.C10H8F4N2O2.C2H3ClO2.CH4/c1-36(2,3)47-31(46)21-24(18-23-19-25(40)22-26(41)20-23)33-28(29-14-15-30(39)32-34(29)45(9)44-35(32)42)13-12-27(43-33)16-17-38(7,8)48-49(10,11)37(4,5)6;1-28(2,3)36-26(35)18-21(15-20-16-22(32)19-23(33)17-20)27-25(31)12-11-24(34-27)13-14-30(7,8)37-38(9,10)29(4,5)6;1-29(2,38)10-9-19-5-6-20(27(34-19)23(33)13-16-11-17(31)14-18(32)12-16)21-7-8-22(30)26-24(15-25(37)39-4)35-36(3)28(21)26;1-19(2,3)26-17(25)9-12(18-15(20)4-5-16(21)24-18)6-11-7-13(22)10-14(23)8-11;1-9-11(5,6)12-13(7,8)10(2,3)4;11-9(12)7-6-3-1-4(3)10(13,14)8(6)16(15-7)2-5(17)18;1-5-2(3)4;/h12-15,19-20,22,24H,18,21H2,1-11H3,(H2,42,44);11-12,16-17,19,21H,15,18H2,1-10H3;5-8,11-12,14,23,38H,13,15,33H2,1-4H3;4-5,7-8,10,12H,6,9H2,1-3H3;1H,2-8H3;3-4,9H,1-2H2,(H,17,18);1H3;1H4/t24-;21-;23-;12-;;3-,4+;;/m1101.0../s1
InChIKeyAJCQQLSQECNVNV-QIFTXUIOSA-N
MW2935.27 g/mol
LogP35.44
Rot. Bonds31

About tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate

tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate (PubChem CID 157131366) has the molecular formula C140H170Br3Cl3F12N12O16Si3 and a molecular weight of 2935.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate
PubChem CID157131366
Molecular FormulaC140H170Br3Cl3F12N12O16Si3
Molecular Weight2935.27 g/mol
Exact Mass2928.86
IUPAC Nametert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate
SMILESC.C#CC(C)(C)O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(C#CC(C)(C)O[Si](C)(C)C(C)(C)C)ccc1Br.COC(=O)Cc1nn(C)c2c(-c3ccc(C#CC(C)(C)O)nc3[C@@H](N)Cc3cc(F)cc(F)c3)ccc(Cl)c12.COC(=O)Cl.Cn1nc(N)c2c(Cl)ccc(-c3ccc(C#CC(C)(C)O[Si](C)(C)C(C)(C)C)nc3[C@@H](CC(=O)OC(C)(C)C)Cc3cc(F)cc(F)c3)c21.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21
InChIInChI=1S/C38H47ClF2N4O3Si.C30H40BrF2NO3Si.C29H27ClF2N4O3.C19H19Br2F2NO2.C11H22OSi.C10H8F4N2O2.C2H3ClO2.CH4/c1-36(2,3)47-31(46)21-24(18-23-19-25(40)22-26(41)20-23)33-28(29-14-15-30(39)32-34(29)45(9)44-35(32)42)13-12-27(43-33)16-17-38(7,8)48-49(10,11)37(4,5)6;1-28(2,3)36-26(35)18-21(15-20-16-22(32)19-23(33)17-20)27-25(31)12-11-24(34-27)13-14-30(7,8)37-38(9,10)29(4,5)6;1-29(2,38)10-9-19-5-6-20(27(34-19)23(33)13-16-11-17(31)14-18(32)12-16)21-7-8-22(30)26-24(15-25(37)39-4)35-36(3)28(21)26;1-19(2,3)26-17(25)9-12(18-15(20)4-5-16(21)24-18)6-11-7-13(22)10-14(23)8-11;1-9-11(5,6)12-13(7,8)10(2,3)4;11-9(12)7-6-3-1-4(3)10(13,14)8(6)16(15-7)2-5(17)18;1-5-2(3)4;/h12-15,19-20,22,24H,18,21H2,1-11H3,(H2,42,44);11-12,16-17,19,21H,15,18H2,1-10H3;5-8,11-12,14,23,38H,13,15,33H2,1-4H3;4-5,7-8,10,12H,6,9H2,1-3H3;1H,2-8H3;3-4,9H,1-2H2,(H,17,18);1H3;1H4/t24-;21-;23-;12-;;3-,4+;;/m1101.0../s1
InChIKeyAJCQQLSQECNVNV-QIFTXUIOSA-N
XLogP35.44
TPSA373.78 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.27
LogP ≤ 535.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate?
The IUPAC name of tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate (CID 157131366) is tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate.
What is the SMILES notation for tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate?
The canonical SMILES for tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate is C.C#CC(C)(C)O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br.CC(C)(C)OC(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1nc(C#CC(C)(C)O[Si](C)(C)C(C)(C)C)ccc1Br.COC(=O)Cc1nn(C)c2c(-c3ccc(C#CC(C)(C)O)nc3[C@@H](N)Cc3cc(F)cc(F)c3)ccc(Cl)c12.COC(=O)Cl.Cn1nc(N)c2c(Cl)ccc(-c3ccc(C#CC(C)(C)O[Si](C)(C)C(C)(C)C)nc3[C@@H](CC(=O)OC(C)(C)C)Cc3cc(F)cc(F)c3)c21.O=C(O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.
What is the InChIKey of tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate?
The InChIKey is AJCQQLSQECNVNV-QIFTXUIOSA-N. The full InChI is InChI=1S/C38H47ClF2N4O3Si.C30H40BrF2NO3Si.C29H27ClF2N4O3.C19H19Br2F2NO2.C11H22OSi.C10H8F4N2O2.C2H3ClO2.CH4/c1-36(2,3)47-31(46)21-24(18-23-19-25(40)22-26(41)20-23)33-28(29-14-15-30(39)32-34(29)45(9)44-35(32)42)13-12-27(43-33)16-17-38(7,8)48-49(10,11)37(4,5)6;1-28(2,3)36-26(35)18-21(15-20-16-22(32)19-23(33)17-20)27-25(31)12-11-24(34-27)13-14-30(7,8)37-38(9,10)29(4,5)6;1-29(2,38)10-9-19-5-6-20(27(34-19)23(33)13-16-11-17(31)14-18(32)12-16)21-7-8-22(30)26-24(15-25(37)39-4)35-36(3)28(21)26;1-19(2,3)26-17(25)9-12(18-15(20)4-5-16(21)24-18)6-11-7-13(22)10-14(23)8-11;1-9-11(5,6)12-13(7,8)10(2,3)4;11-9(12)7-6-3-1-4(3)10(13,14)8(6)16(15-7)2-5(17)18;1-5-2(3)4;/h12-15,19-20,22,24H,18,21H2,1-11H3,(H2,42,44);11-12,16-17,19,21H,15,18H2,1-10H3;5-8,11-12,14,23,38H,13,15,33H2,1-4H3;4-5,7-8,10,12H,6,9H2,1-3H3;1H,2-8H3;3-4,9H,1-2H2,(H,17,18);1H3;1H4/t24-;21-;23-;12-;;3-,4+;;/m1101.0../s1.
What are the key properties of tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate?
tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate has a molecular weight of 2935.27 g/mol, XLogP of 35.44, 31 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[3-(3-amino-4-chloro-1-methylindazol-7-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-[3-bromo-6-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-1-ynyl]-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate;tert-butyl (3R)-3-(3,6-dibromo-2-pyridinyl)-4-(3,5-difluorophenyl)butanoate;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid;methane;methyl 2-[7-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinyl]-4-chloro-1-methylindazol-3-yl]acetate;methyl carbonochloridate is sourced from PubChem (CID 157131366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).