About 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 157080675) has the molecular formula C157H155BBr5F23N16O30
and a molecular weight of 3593.33 g/mol. Its IUPAC name is 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
Frequently Asked Questions
What is the IUPAC name of 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 157080675) is 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C.CCCn1cc(-c2cnc3c(c2)C(Cc2c(F)c(OC)cc(OC)c2F)=NC3)cn1.COc1cc(OC)c(F)c(C=O)c1F.COc1cc(OC)c(F)c(CBr)c1F.COc1cc(OC)c(F)c(CC(=O)c2cc(Br)cnc2F)c1F.COc1cc(OC)c(F)c(CC(O)c2cc(Br)cnc2F)c1F.COc1cc(OC)c(F)c(CC2=NCc3ncc(-c4cnn(CCO)c4)cc32)c1F.COc1cc(OC)c(F)c(CC2=NCc3ncc(Br)cc32)c1F.COc1cc(OC)c(F)c(CC=O)c1F.COc1cc(OC)c(F)c(CO)c1F.Fc1ccc(Br)cn1.[C-]#[N+]Cc1c(F)c(OC)cc(OC)c1F.
What is the InChIKey of 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is ADMVQDRWGVDTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2.C21H20F2N4O3.C16H27BN2O4.C16H13BrF2N2O2.C15H13BrF3NO3.C15H11BrF3NO3.C10H9F2NO2.C10H10F2O3.C9H9BrF2O2.C9H10F2O3.C9H8F2O3.C5H3BrFN/c1-4-5-28-12-14(10-27-28)13-6-15-17(26-11-18(15)25-9-13)7-16-21(23)19(29-2)8-20(30-3)22(16)24;1-29-18-7-19(30-2)21(23)15(20(18)22)6-16-14-5-12(8-24-17(14)10-25-16)13-9-26-27(11-13)3-4-28;1-15(2)16(3,4)23-17(22-15)13-11-18-19(12-13)8-10-21-14-7-5-6-9-20-14;1-22-13-5-14(23-2)16(19)10(15(13)18)4-11-9-3-8(17)6-20-12(9)7-21-11;2*1-22-11-5-12(23-2)14(18)9(13(11)17)4-10(21)8-3-7(16)6-20-15(8)19;1-13-5-6-9(11)7(14-2)4-8(15-3)10(6)12;1-14-7-5-8(15-2)10(12)6(3-4-13)9(7)11;1-13-6-3-7(14-2)9(12)5(4-10)8(6)11;2*1-13-6-3-7(14-2)9(11)5(4-12)8(6)10;6-4-1-2-5(7)8-3-4/h6,8-10,12H,4-5,7,11H2,1-3H3;5,7-9,11,28H,3-4,6,10H2,1-2H3;11-12,14H,5-10H2,1-4H3;3,5-6H,4,7H2,1-2H3;3,5-6,10,21H,4H2,1-2H3;3,5-6H,4H2,1-2H3;4H,5H2,2-3H3;4-5H,3H2,1-2H3;3H,4H2,1-2H3;3,12H,4H2,1-2H3;3-4H,1-2H3;1-3H.
What are the key properties of 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 3593.33 g/mol, XLogP of 31.90, 49 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridine;5-bromo-2-fluoropyridine;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanol;1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone;3-(bromomethyl)-2,4-difluoro-1,5-dimethoxybenzene;2,6-difluoro-3,5-dimethoxybenzaldehyde;2-(2,6-difluoro-3,5-dimethoxyphenyl)acetaldehyde;(2,6-difluoro-3,5-dimethoxyphenyl)methanol;5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-3-(1-propylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-3-yl]pyrazol-1-yl]ethanol;2,4-difluoro-3-(isocyanomethyl)-1,5-dimethoxybenzene;1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 157080675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).