2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C191H176B3Br6Cl4F9N17O42PS — CID 159512729

IUPAC2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc2c(c1)CC(=O)N2.COC(=O)c1ccc2c(c1)CC(Cl)=N2.COC(=O)c1ccc2c(c1)CC(Oc1ccc(Br)cc1F)=N2.COC(=O)c1ccc2c(c1)nc(Oc1ccc(Br)cc1F)n2CC1CCO1.COC(=O)c1ccc2nc(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Oc3ccc(Br)cc3F)n(CC3CCO3)c2c1.COC(=O)c1ccc2nc(Oc3ccc(Br)cc3F)n(CC3CCO3)c2c1.Cc1ccc(S(=O)(=O)OC[C@@H]2CCO2)cc1.O=P(Cl)(Cl)Cl.Oc1ccc(Br)cc1F.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Oc4nc5ccc(C(=O)O)cc5n4CC4CCO4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1
InChIInChI=1S/C31H22F2N4O5.C25H28BFN2O6.3C19H16BrFN2O4.C16H11BrFNO3.C13H8BrFN2O.C12H24B2O4.C11H14O4S.C10H8ClNO2.C10H9NO3.C6H4BrFO.Cl3OP/c1-34-21-8-5-20(23(32)15-21)17-41-29-4-2-3-25(35-29)18-7-10-28(24(33)13-18)42-31-36-26-9-6-19(30(38)39)14-27(26)37(31)16-22-11-12-40-22;1-24(2)25(3,4)35-26(34-24)16-7-9-21(18(27)13-16)33-23-28-19-8-6-15(22(30)31-5)12-20(19)29(23)14-17-10-11-32-17;1-25-18(24)11-2-4-16-15(8-11)22-19(23(16)10-13-6-7-26-13)27-17-5-3-12(20)9-14(17)21;2*1-25-18(24)11-2-4-15-16(8-11)23(10-13-6-7-26-13)19(22-15)27-17-5-3-12(20)9-14(17)21;1-21-16(20)9-2-4-13-10(6-9)7-15(19-13)22-14-5-3-11(17)8-12(14)18;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9-2-4-11(5-3-9)16(12,13)15-8-10-6-7-14-10;1-14-10(13)6-2-3-8-7(4-6)5-9(11)12-8;1-14-10(13)6-2-3-8-7(4-6)5-9(12)11-8;7-4-1-2-6(9)5(8)3-4;1-5(2,3)4/h2-10,13-15,22H,11-12,16-17H2,(H,38,39);6-9,12-13,17H,10-11,14H2,1-5H3;3*2-5,8-9,13H,6-7,10H2,1H3;2-6,8H,7H2,1H3;2-7H,8H2;1-8H3;2-5,10H,6-8H2,1H3;2-4H,5H2,1H3;2-4H,5H2,1H3,(H,11,12);1-3,9H;/t;17-;;;;;;;10-;;;;/m.0......0..../s1
InChIKeyMAUNZEMEAZMVRB-LTJHJBKNSA-N
MW4269.28 g/mol
LogP43.81
Rot. Bonds42

About 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159512729) has the molecular formula C191H176B3Br6Cl4F9N17O42PS and a molecular weight of 4269.28 g/mol. Its IUPAC name is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159512729
Molecular FormulaC191H176B3Br6Cl4F9N17O42PS
Molecular Weight4269.28 g/mol
Exact Mass4259.56
IUPAC Name2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc2c(c1)CC(=O)N2.COC(=O)c1ccc2c(c1)CC(Cl)=N2.COC(=O)c1ccc2c(c1)CC(Oc1ccc(Br)cc1F)=N2.COC(=O)c1ccc2c(c1)nc(Oc1ccc(Br)cc1F)n2CC1CCO1.COC(=O)c1ccc2nc(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Oc3ccc(Br)cc3F)n(CC3CCO3)c2c1.COC(=O)c1ccc2nc(Oc3ccc(Br)cc3F)n(CC3CCO3)c2c1.Cc1ccc(S(=O)(=O)OC[C@@H]2CCO2)cc1.O=P(Cl)(Cl)Cl.Oc1ccc(Br)cc1F.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Oc4nc5ccc(C(=O)O)cc5n4CC4CCO4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1
InChIInChI=1S/C31H22F2N4O5.C25H28BFN2O6.3C19H16BrFN2O4.C16H11BrFNO3.C13H8BrFN2O.C12H24B2O4.C11H14O4S.C10H8ClNO2.C10H9NO3.C6H4BrFO.Cl3OP/c1-34-21-8-5-20(23(32)15-21)17-41-29-4-2-3-25(35-29)18-7-10-28(24(33)13-18)42-31-36-26-9-6-19(30(38)39)14-27(26)37(31)16-22-11-12-40-22;1-24(2)25(3,4)35-26(34-24)16-7-9-21(18(27)13-16)33-23-28-19-8-6-15(22(30)31-5)12-20(19)29(23)14-17-10-11-32-17;1-25-18(24)11-2-4-16-15(8-11)22-19(23(16)10-13-6-7-26-13)27-17-5-3-12(20)9-14(17)21;2*1-25-18(24)11-2-4-15-16(8-11)23(10-13-6-7-26-13)19(22-15)27-17-5-3-12(20)9-14(17)21;1-21-16(20)9-2-4-13-10(6-9)7-15(19-13)22-14-5-3-11(17)8-12(14)18;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9-2-4-11(5-3-9)16(12,13)15-8-10-6-7-14-10;1-14-10(13)6-2-3-8-7(4-6)5-9(11)12-8;1-14-10(13)6-2-3-8-7(4-6)5-9(12)11-8;7-4-1-2-6(9)5(8)3-4;1-5(2,3)4/h2-10,13-15,22H,11-12,16-17H2,(H,38,39);6-9,12-13,17H,10-11,14H2,1-5H3;3*2-5,8-9,13H,6-7,10H2,1H3;2-6,8H,7H2,1H3;2-7H,8H2;1-8H3;2-5,10H,6-8H2,1H3;2-4H,5H2,1H3;2-4H,5H2,1H3,(H,11,12);1-3,9H;/t;17-;;;;;;;10-;;;;/m.0......0..../s1
InChIKeyMAUNZEMEAZMVRB-LTJHJBKNSA-N
XLogP43.81
TPSA664.09 Ų
H-Bond Donors3
H-Bond Acceptors55
Rotatable Bonds42
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004269.28
LogP ≤ 543.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1055

Analyze 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 155190674
2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 156856827
2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 155612976
methyl 2-[[4-[6-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 177129272
methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-pyridinyl]oxymethyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 166715616
lithium;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetic acid;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;2,6-ditert-butyl-4-methylpyridine;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohex-3-en-1-yl]acetate;methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate;methyl 2-(4-oxocyclohexyl)acetate;methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate;methyl 2-[4-(trifluoromethylsulfonyloxy)cyclohex-3-en-1-yl]acetate;molecular hydrogen;trifluoromethylsulfonyl trifluoromethanesulfonate;hydroxide
CID 162237711
2-[[2-fluoro-4-[6-[(2-methyl-1,3-benzoxazol-7-yl)methoxy]-2-pyridinyl]phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 177129208
methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(oxan-2-ylmethyl)benzimidazole-5-carboxylate
CID 156856845
6-bromo-2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole
CID 155627041
methyl 2-[[4-[6-(dibenzofuran-4-ylmethoxy)-2-pyridinyl]-2-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 177129265
2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethoxy)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 158233690
methyl 2-[[4-[6-[(2-fluoro-4-methylsulfonylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate
CID 175451154

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159512729) is 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc2c(c1)CC(=O)N2.COC(=O)c1ccc2c(c1)CC(Cl)=N2.COC(=O)c1ccc2c(c1)CC(Oc1ccc(Br)cc1F)=N2.COC(=O)c1ccc2c(c1)nc(Oc1ccc(Br)cc1F)n2CC1CCO1.COC(=O)c1ccc2nc(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Oc3ccc(Br)cc3F)n(CC3CCO3)c2c1.COC(=O)c1ccc2nc(Oc3ccc(Br)cc3F)n(CC3CCO3)c2c1.Cc1ccc(S(=O)(=O)OC[C@@H]2CCO2)cc1.O=P(Cl)(Cl)Cl.Oc1ccc(Br)cc1F.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Oc4nc5ccc(C(=O)O)cc5n4CC4CCO4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(Br)n2)c(F)c1.
What is the InChIKey of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is MAUNZEMEAZMVRB-LTJHJBKNSA-N. The full InChI is InChI=1S/C31H22F2N4O5.C25H28BFN2O6.3C19H16BrFN2O4.C16H11BrFNO3.C13H8BrFN2O.C12H24B2O4.C11H14O4S.C10H8ClNO2.C10H9NO3.C6H4BrFO.Cl3OP/c1-34-21-8-5-20(23(32)15-21)17-41-29-4-2-3-25(35-29)18-7-10-28(24(33)13-18)42-31-36-26-9-6-19(30(38)39)14-27(26)37(31)16-22-11-12-40-22;1-24(2)25(3,4)35-26(34-24)16-7-9-21(18(27)13-16)33-23-28-19-8-6-15(22(30)31-5)12-20(19)29(23)14-17-10-11-32-17;1-25-18(24)11-2-4-16-15(8-11)22-19(23(16)10-13-6-7-26-13)27-17-5-3-12(20)9-14(17)21;2*1-25-18(24)11-2-4-15-16(8-11)23(10-13-6-7-26-13)19(22-15)27-17-5-3-12(20)9-14(17)21;1-21-16(20)9-2-4-13-10(6-9)7-15(19-13)22-14-5-3-11(17)8-12(14)18;1-16-10-6-5-9(11(15)7-10)8-18-13-4-2-3-12(14)17-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-9-2-4-11(5-3-9)16(12,13)15-8-10-6-7-14-10;1-14-10(13)6-2-3-8-7(4-6)5-9(11)12-8;1-14-10(13)6-2-3-8-7(4-6)5-9(12)11-8;7-4-1-2-6(9)5(8)3-4;1-5(2,3)4/h2-10,13-15,22H,11-12,16-17H2,(H,38,39);6-9,12-13,17H,10-11,14H2,1-5H3;3*2-5,8-9,13H,6-7,10H2,1H3;2-6,8H,7H2,1H3;2-7H,8H2;1-8H3;2-5,10H,6-8H2,1H3;2-4H,5H2,1H3;2-4H,5H2,1H3,(H,11,12);1-3,9H;/t;17-;;;;;;;10-;;;;/m.0......0..../s1.
What are the key properties of 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 4269.28 g/mol, XLogP of 43.81, 42 rotatable bonds, 3 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine;4-bromo-2-fluorophenol;2-[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid;methyl 2-(4-bromo-2-fluorophenoxy)-3H-indole-5-carboxylate;methyl 2-(4-bromo-2-fluorophenoxy)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;bis(methyl 2-(4-bromo-2-fluorophenoxy)-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate);methyl 2-chloro-3H-indole-5-carboxylate;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-oxo-1,3-dihydroindole-5-carboxylate;[(2S)-oxetan-2-yl]methyl 4-methylbenzenesulfonate;phosphoryl trichloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159512729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).