2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

C145H203B3BrClF12N14O26S2 — CID 158762351

IUPAC2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC.C.C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)C1.CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1=CCN(C(=O)OC(C)(C)C)CC1(C)C.O=CC(F)(F)F.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3(C)C)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCNCC3(C)C)n2)c(F)c1
InChIInChI=1S/C25H28FN3O3.C20H20FN3O.C18H32BNO4.C17H21ClN2O3.C13H8BrFN2O.C13H23NO2.C12H24B2O4.C12H21NO3.C8H5F6NO4S2.C2HF3O.5CH4/c1-24(2,3)32-23(30)29-13-12-19(25(4,5)16-29)21-8-7-9-22(28-21)31-15-17-10-11-18(27-6)14-20(17)26;1-20(2)13-23-10-9-16(20)18-5-4-6-19(24-18)25-12-14-7-8-15(22-3)11-17(14)21;1-15(2,3)22-14(21)20-11-10-13(16(4,5)12-20)19-23-17(6,7)18(8,9)24-19;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-10-7-8-14(9-13(10,5)6)11(15)16-12(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;3-2(4,5)1-6;;;;;/h7-12,14H,13,15-16H2,1-5H3;4-9,11,23H,10,12-13H2,1-2H3;10H,11-12H2,1-9H3;4-5,8,12H,6-7,9-10H2,1-3H3;2-7H,8H2;7H,8-9H2,1-6H3;1-8H3;6-8H2,1-5H3;1-5H;1H;5*1H4/t;;;12-;;;;;;;;;;;/m...0.........../s1
InChIKeyIOVIAIAMBIHDQD-RVHGUTCTSA-N
MW2998.19 g/mol
LogP35.63
Rot. Bonds20

About 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 158762351) has the molecular formula C145H203B3BrClF12N14O26S2 and a molecular weight of 2998.19 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID158762351
Molecular FormulaC145H203B3BrClF12N14O26S2
Molecular Weight2998.19 g/mol
Exact Mass2995.34
IUPAC Name2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESC.C.C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)C1.CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1=CCN(C(=O)OC(C)(C)C)CC1(C)C.O=CC(F)(F)F.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3(C)C)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCNCC3(C)C)n2)c(F)c1
InChIInChI=1S/C25H28FN3O3.C20H20FN3O.C18H32BNO4.C17H21ClN2O3.C13H8BrFN2O.C13H23NO2.C12H24B2O4.C12H21NO3.C8H5F6NO4S2.C2HF3O.5CH4/c1-24(2,3)32-23(30)29-13-12-19(25(4,5)16-29)21-8-7-9-22(28-21)31-15-17-10-11-18(27-6)14-20(17)26;1-20(2)13-23-10-9-16(20)18-5-4-6-19(24-18)25-12-14-7-8-15(22-3)11-17(14)21;1-15(2,3)22-14(21)20-11-10-13(16(4,5)12-20)19-23-17(6,7)18(8,9)24-19;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-10-7-8-14(9-13(10,5)6)11(15)16-12(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;3-2(4,5)1-6;;;;;/h7-12,14H,13,15-16H2,1-5H3;4-9,11,23H,10,12-13H2,1-2H3;10H,11-12H2,1-9H3;4-5,8,12H,6-7,9-10H2,1-3H3;2-7H,8H2;7H,8-9H2,1-6H3;1-8H3;6-8H2,1-5H3;1-5H;1H;5*1H4/t;;;12-;;;;;;;;;;;/m...0.........../s1
InChIKeyIOVIAIAMBIHDQD-RVHGUTCTSA-N
XLogP35.63
TPSA424.02 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002998.19
LogP ≤ 535.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 158762351) is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is C.C.C.C.C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)C(C)(C)C1.CC(C)(C)OC(=O)N1CCC(=O)C(C)(C)C1.CC(C)(C)OC(=O)c1ccc2nc(CCl)n(C[C@@H]3CCO3)c2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1=CCN(C(=O)OC(C)(C)C)CC1(C)C.O=CC(F)(F)F.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCN(C(=O)OC(C)(C)C)CC3(C)C)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(C3=CCNCC3(C)C)n2)c(F)c1.
What is the InChIKey of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is IOVIAIAMBIHDQD-RVHGUTCTSA-N. The full InChI is InChI=1S/C25H28FN3O3.C20H20FN3O.C18H32BNO4.C17H21ClN2O3.C13H8BrFN2O.C13H23NO2.C12H24B2O4.C12H21NO3.C8H5F6NO4S2.C2HF3O.5CH4/c1-24(2,3)32-23(30)29-13-12-19(25(4,5)16-29)21-8-7-9-22(28-21)31-15-17-10-11-18(27-6)14-20(17)26;1-20(2)13-23-10-9-16(20)18-5-4-6-19(24-18)25-12-14-7-8-15(22-3)11-17(14)21;1-15(2,3)22-14(21)20-11-10-13(16(4,5)12-20)19-23-17(6,7)18(8,9)24-19;1-17(2,3)23-16(21)11-4-5-13-14(8-11)20(15(9-18)19-13)10-12-6-7-22-12;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-10-7-8-14(9-13(10,5)6)11(15)16-12(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;3-2(4,5)1-6;;;;;/h7-12,14H,13,15-16H2,1-5H3;4-9,11,23H,10,12-13H2,1-2H3;10H,11-12H2,1-9H3;4-5,8,12H,6-7,9-10H2,1-3H3;2-7H,8H2;7H,8-9H2,1-6H3;1-8H3;6-8H2,1-5H3;1-5H;1H;5*1H4/t;;;12-;;;;;;;;;;;/m...0.........../s1.
What are the key properties of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 2998.19 g/mol, XLogP of 35.63, 20 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 3,3-dimethyl-4-oxopiperidine-1-carboxylate;tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate;tert-butyl 4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,3-dimethyl-2,6-dihydropyridine-1-carboxylate;tert-butyl 3,3,4-trimethyl-2,6-dihydropyridine-1-carboxylate;2-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,2,2-trifluoroacetaldehyde;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 158762351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).