5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid

C123H132BBr2Cl3F15N15O18 — CID 159038301

IUPAC5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)OC(=O)N[C@H](CCO)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)OC(=O)N[C@H](CCOc1cnc(Cl)c(Br)c1)Cc1ccc(C(F)(F)F)cc1.Cc1[nH]nc2ccc(-c3cc(OCC[C@@H](N)Cc4ccc(C(F)(F)F)cc4)cnc3-c3ccoc3)cc12.Cc1[nH]nc2ccc(-c3cc(OCC[C@H](Cc4ccc(C(F)(F)F)cc4)NC(=O)OC(C)(C)C)cnc3Cl)cc12.Cc1[nH]nc2ccc(B(O)O)cc12.Oc1cnc(Cl)c(Br)c1
InChIInChI=1S/C29H30ClF3N4O3.C28H25F3N4O2.C21H23BrClF3N2O3.C16H20F3NO4.C16H22F3NO3.C8H9BN2O2.C5H3BrClNO/c1-17-23-14-19(7-10-25(23)37-36-17)24-15-22(16-34-26(24)30)39-12-11-21(35-27(38)40-28(2,3)4)13-18-5-8-20(9-6-18)29(31,32)33;1-17-24-13-19(4-7-26(24)35-34-17)25-14-23(15-33-27(25)20-8-10-36-16-20)37-11-9-22(32)12-18-2-5-21(6-3-18)28(29,30)31;1-20(2,3)31-19(29)28-15(8-9-30-16-11-17(22)18(23)27-12-16)10-13-4-6-14(7-5-13)21(24,25)26;1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-4-6-11(7-5-10)16(17,18)19;1-15(2,3)23-14(22)20-13(8-9-21)10-11-4-6-12(7-5-11)16(17,18)19;1-5-7-4-6(9(12)13)2-3-8(7)11-10-5;6-4-1-3(9)2-8-5(4)7/h5-10,14-16,21H,11-13H2,1-4H3,(H,35,38)(H,36,37);2-8,10,13-16,22H,9,11-12,32H2,1H3,(H,34,35);4-7,11-12,15H,8-10H2,1-3H3,(H,28,29);4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22);4-7,13,21H,8-10H2,1-3H3,(H,20,22);2-4,12-13H,1H3,(H,10,11);1-2,9H/t21-;22-;15-;12-;13-;;/m11101../s1
InChIKeyJVSOHFOQIZJSSK-JJVDBMEYSA-N
MW2670.44 g/mol
LogP29.38
Rot. Bonds34

About 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid

5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 159038301) has the molecular formula C123H132BBr2Cl3F15N15O18 and a molecular weight of 2670.44 g/mol. Its IUPAC name is 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
PubChem CID159038301
Molecular FormulaC123H132BBr2Cl3F15N15O18
Molecular Weight2670.44 g/mol
Exact Mass2665.72
IUPAC Name5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)OC(=O)N[C@H](CCO)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)OC(=O)N[C@H](CCOc1cnc(Cl)c(Br)c1)Cc1ccc(C(F)(F)F)cc1.Cc1[nH]nc2ccc(-c3cc(OCC[C@@H](N)Cc4ccc(C(F)(F)F)cc4)cnc3-c3ccoc3)cc12.Cc1[nH]nc2ccc(-c3cc(OCC[C@H](Cc4ccc(C(F)(F)F)cc4)NC(=O)OC(C)(C)C)cnc3Cl)cc12.Cc1[nH]nc2ccc(B(O)O)cc12.Oc1cnc(Cl)c(Br)c1
InChIInChI=1S/C29H30ClF3N4O3.C28H25F3N4O2.C21H23BrClF3N2O3.C16H20F3NO4.C16H22F3NO3.C8H9BN2O2.C5H3BrClNO/c1-17-23-14-19(7-10-25(23)37-36-17)24-15-22(16-34-26(24)30)39-12-11-21(35-27(38)40-28(2,3)4)13-18-5-8-20(9-6-18)29(31,32)33;1-17-24-13-19(4-7-26(24)35-34-17)25-14-23(15-33-27(25)20-8-10-36-16-20)37-11-9-22(32)12-18-2-5-21(6-3-18)28(29,30)31;1-20(2,3)31-19(29)28-15(8-9-30-16-11-17(22)18(23)27-12-16)10-13-4-6-14(7-5-13)21(24,25)26;1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-4-6-11(7-5-10)16(17,18)19;1-15(2,3)23-14(22)20-13(8-9-21)10-11-4-6-12(7-5-11)16(17,18)19;1-5-7-4-6(9(12)13)2-3-8(7)11-10-5;6-4-1-3(9)2-8-5(4)7/h5-10,14-16,21H,11-13H2,1-4H3,(H,35,38)(H,36,37);2-8,10,13-16,22H,9,11-12,32H2,1H3,(H,34,35);4-7,11-12,15H,8-10H2,1-3H3,(H,28,29);4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22);4-7,13,21H,8-10H2,1-3H3,(H,20,22);2-4,12-13H,1H3,(H,10,11);1-2,9H/t21-;22-;15-;12-;13-;;/m11101../s1
InChIKeyJVSOHFOQIZJSSK-JJVDBMEYSA-N
XLogP29.38
TPSA475.99 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002670.44
LogP ≤ 529.38
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

bis((2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-amine);bis(2,2,2-trifluoroacetic acid)
CID 172873245
CID 157151325
CID 157151325
5-bromo-6-chloropyridin-3-amine;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate;bis(tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate);furan-3-ylboronic acid;methane;(3-methyl-2H-indazol-5-yl)boronic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 157188258
5-bromo-6-chloropyridin-3-ol;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;tert-butyl 4-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;6-chloro-5-(3-methyl-2H-indazol-5-yl)pyridin-3-ol;methane;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyridin-3-ol;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;phenylboronic acid
CID 159061502
3-bromo-2-chloro-5-[2-(oxiran-2-yl)ethyl]pyridine;5-bromo-6-chloropyridin-3-ol;(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-phenylpropan-2-ol;2-ethyloxirane;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-phenylpropan-2-ol;methane
CID 159255513
CID 159910042
CID 159910042
CID 160507758
CID 160507758
tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]pent-4-yn-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]pent-4-yn-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]pent-4-yn-2-yl]carbamate;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]pent-4-yn-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid
CID 160896314
5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-yl]carbamate;dichloromethane;(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl]oxy]propan-2-amine;methane;(3-methyl-2H-indazol-5-yl)boronic acid;phenylboronic acid
CID 161354782
tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[6-chloro-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-yl]carbamate;5-chloro-3-methyl-2H-pyrazolo[4,3-b]pyridine;2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane;furan-3-ylboronic acid;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 161425690
benzenethiol;(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)-N,N-dimethylpropan-2-amine;(2S)-1-[(5-bromo-6-chloro-3-pyridinyl)oxy]-3-(1H-indol-3-yl)-N-methylpropan-2-amine;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)-N,N-dimethylpropan-2-amine;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)-N-methylpropan-2-amine
CID 161755061

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid (CID 159038301) is 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid is CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)OC(=O)N[C@H](CCO)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)OC(=O)N[C@H](CCOc1cnc(Cl)c(Br)c1)Cc1ccc(C(F)(F)F)cc1.Cc1[nH]nc2ccc(-c3cc(OCC[C@@H](N)Cc4ccc(C(F)(F)F)cc4)cnc3-c3ccoc3)cc12.Cc1[nH]nc2ccc(-c3cc(OCC[C@H](Cc4ccc(C(F)(F)F)cc4)NC(=O)OC(C)(C)C)cnc3Cl)cc12.Cc1[nH]nc2ccc(B(O)O)cc12.Oc1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is JVSOHFOQIZJSSK-JJVDBMEYSA-N. The full InChI is InChI=1S/C29H30ClF3N4O3.C28H25F3N4O2.C21H23BrClF3N2O3.C16H20F3NO4.C16H22F3NO3.C8H9BN2O2.C5H3BrClNO/c1-17-23-14-19(7-10-25(23)37-36-17)24-15-22(16-34-26(24)30)39-12-11-21(35-27(38)40-28(2,3)4)13-18-5-8-20(9-6-18)29(31,32)33;1-17-24-13-19(4-7-26(24)35-34-17)25-14-23(15-33-27(25)20-8-10-36-16-20)37-11-9-22(32)12-18-2-5-21(6-3-18)28(29,30)31;1-20(2,3)31-19(29)28-15(8-9-30-16-11-17(22)18(23)27-12-16)10-13-4-6-14(7-5-13)21(24,25)26;1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-4-6-11(7-5-10)16(17,18)19;1-15(2,3)23-14(22)20-13(8-9-21)10-11-4-6-12(7-5-11)16(17,18)19;1-5-7-4-6(9(12)13)2-3-8(7)11-10-5;6-4-1-3(9)2-8-5(4)7/h5-10,14-16,21H,11-13H2,1-4H3,(H,35,38)(H,36,37);2-8,10,13-16,22H,9,11-12,32H2,1H3,(H,34,35);4-7,11-12,15H,8-10H2,1-3H3,(H,28,29);4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22);4-7,13,21H,8-10H2,1-3H3,(H,20,22);2-4,12-13H,1H3,(H,10,11);1-2,9H/t21-;22-;15-;12-;13-;;/m11101../s1.
What are the key properties of 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid?
5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 2670.44 g/mol, XLogP of 29.38, 34 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloropyridin-3-ol;tert-butyl N-[(2S)-4-[(5-bromo-6-chloro-3-pyridinyl)oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;tert-butyl N-[(2S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamate;(2S)-4-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-1-[4-(trifluoromethyl)phenyl]butan-2-amine;(3-methyl-2H-indazol-5-yl)boronic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 159038301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).