1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C116H123Br5N24O11 — CID 173148337

IUPAC1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCN(CC(=O)N(C)C)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.CN(CCc1ccccc1)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.CN(Cc1ccccc1)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccc2)CC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H26BrN5O2.C24H25BrN6O2.C24H25BrN4O2.C23H23BrN4O2.C20H24BrN5O3/c26-19-14-23-25(27-15-19)29-24(28-23)18-6-8-22(9-7-18)33-17-21(32)16-30-10-12-31(13-11-30)20-4-2-1-3-5-20;25-18-13-21-24(27-14-18)29-23(28-21)17-4-6-20(7-5-17)33-16-19(32)15-30-9-11-31(12-10-30)22-3-1-2-8-26-22;1-29(12-11-17-5-3-2-4-6-17)15-20(30)16-31-21-9-7-18(8-10-21)23-27-22-13-19(25)14-26-24(22)28-23;1-28(13-16-5-3-2-4-6-16)14-19(29)15-30-20-9-7-17(8-10-20)22-26-21-11-18(24)12-25-23(21)27-22;1-25(2)18(28)11-26(3)10-15(27)12-29-16-6-4-13(5-7-16)19-23-17-8-14(21)9-22-20(17)24-19/h1-9,14-15,21,32H,10-13,16-17H2,(H,27,28,29);1-8,13-14,19,32H,9-12,15-16H2,(H,27,28,29);2-10,13-14,20,30H,11-12,15-16H2,1H3,(H,26,27,28);2-12,19,29H,13-15H2,1H3,(H,25,26,27);4-9,15,27H,10-12H2,1-3H3,(H,22,23,24)
InChIKeySTPZXFZGBPVMBY-UHFFFAOYSA-N
MW2428.94 g/mol
LogP18.00
Rot. Bonds39

About 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 173148337) has the molecular formula C116H123Br5N24O11 and a molecular weight of 2428.94 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID173148337
Molecular FormulaC116H123Br5N24O11
Molecular Weight2428.94 g/mol
Exact Mass2422.57
IUPAC Name1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCN(CC(=O)N(C)C)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.CN(CCc1ccccc1)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.CN(Cc1ccccc1)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccc2)CC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H26BrN5O2.C24H25BrN6O2.C24H25BrN4O2.C23H23BrN4O2.C20H24BrN5O3/c26-19-14-23-25(27-15-19)29-24(28-23)18-6-8-22(9-7-18)33-17-21(32)16-30-10-12-31(13-11-30)20-4-2-1-3-5-20;25-18-13-21-24(27-14-18)29-23(28-21)17-4-6-20(7-5-17)33-16-19(32)15-30-9-11-31(12-10-30)22-3-1-2-8-26-22;1-29(12-11-17-5-3-2-4-6-17)15-20(30)16-31-21-9-7-18(8-10-21)23-27-22-13-19(25)14-26-24(22)28-23;1-28(13-16-5-3-2-4-6-16)14-19(29)15-30-20-9-7-17(8-10-20)22-26-21-11-18(24)12-25-23(21)27-22;1-25(2)18(28)11-26(3)10-15(27)12-29-16-6-4-13(5-7-16)19-23-17-8-14(21)9-22-20(17)24-19/h1-9,14-15,21,32H,10-13,16-17H2,(H,27,28,29);1-8,13-14,19,32H,9-12,15-16H2,(H,27,28,29);2-10,13-14,20,30H,11-12,15-16H2,1H3,(H,26,27,28);2-12,19,29H,13-15H2,1H3,(H,25,26,27);4-9,15,27H,10-12H2,1-3H3,(H,22,23,24)
InChIKeySTPZXFZGBPVMBY-UHFFFAOYSA-N
XLogP18.00
TPSA411.03 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002428.94
LogP ≤ 518.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 173148337) is 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is CN(CC(=O)N(C)C)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.CN(CCc1ccccc1)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.CN(Cc1ccccc1)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccc2)CC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is STPZXFZGBPVMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN5O2.C24H25BrN6O2.C24H25BrN4O2.C23H23BrN4O2.C20H24BrN5O3/c26-19-14-23-25(27-15-19)29-24(28-23)18-6-8-22(9-7-18)33-17-21(32)16-30-10-12-31(13-11-30)20-4-2-1-3-5-20;25-18-13-21-24(27-14-18)29-23(28-21)17-4-6-20(7-5-17)33-16-19(32)15-30-9-11-31(12-10-30)22-3-1-2-8-26-22;1-29(12-11-17-5-3-2-4-6-17)15-20(30)16-31-21-9-7-18(8-10-21)23-27-22-13-19(25)14-26-24(22)28-23;1-28(13-16-5-3-2-4-6-16)14-19(29)15-30-20-9-7-17(8-10-20)22-26-21-11-18(24)12-25-23(21)27-22;1-25(2)18(28)11-26(3)10-15(27)12-29-16-6-4-13(5-7-16)19-23-17-8-14(21)9-22-20(17)24-19/h1-9,14-15,21,32H,10-13,16-17H2,(H,27,28,29);1-8,13-14,19,32H,9-12,15-16H2,(H,27,28,29);2-10,13-14,20,30H,11-12,15-16H2,1H3,(H,26,27,28);2-12,19,29H,13-15H2,1H3,(H,25,26,27);4-9,15,27H,10-12H2,1-3H3,(H,22,23,24).
What are the key properties of 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 2428.94 g/mol, XLogP of 18.00, 39 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propan-2-ol;2-[[3-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-2-hydroxypropyl]-methylamino]-N,N-dimethylacetamide;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[methyl(2-phenylethyl)amino]propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol;1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 173148337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).