1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol

C41H45BrN8O6 — CID 69209724

IUPAC1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol
SMILESCN(CCO)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.Cc1cnc2nc(-c3ccc(OCC(O)CNCc4ccc(O)cc4)cc3)[nH]c2c1
InChIInChI=1S/C23H24N4O3.C18H21BrN4O3/c1-15-10-21-23(25-11-15)27-22(26-21)17-4-8-20(9-5-17)30-14-19(29)13-24-12-16-2-6-18(28)7-3-16;1-23(6-7-24)10-14(25)11-26-15-4-2-12(3-5-15)17-21-16-8-13(19)9-20-18(16)22-17/h2-11,19,24,28-29H,12-14H2,1H3,(H,25,26,27);2-5,8-9,14,24-25H,6-7,10-11H2,1H3,(H,20,21,22)
InChIKeyIQQHABCOJCQLHJ-UHFFFAOYSA-N
MW825.77 g/mol
LogP5.22
Rot. Bonds16

About 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol (PubChem CID 69209724) has the molecular formula C41H45BrN8O6 and a molecular weight of 825.77 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol
PubChem CID69209724
Molecular FormulaC41H45BrN8O6
Molecular Weight825.77 g/mol
Exact Mass824.26
IUPAC Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol
SMILESCN(CCO)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.Cc1cnc2nc(-c3ccc(OCC(O)CNCc4ccc(O)cc4)cc3)[nH]c2c1
InChIInChI=1S/C23H24N4O3.C18H21BrN4O3/c1-15-10-21-23(25-11-15)27-22(26-21)17-4-8-20(9-5-17)30-14-19(29)13-24-12-16-2-6-18(28)7-3-16;1-23(6-7-24)10-14(25)11-26-15-4-2-12(3-5-15)17-21-16-8-13(19)9-20-18(16)22-17/h2-11,19,24,28-29H,12-14H2,1H3,(H,25,26,27);2-5,8-9,14,24-25H,6-7,10-11H2,1H3,(H,20,21,22)
InChIKeyIQQHABCOJCQLHJ-UHFFFAOYSA-N
XLogP5.22
TPSA197.79 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500825.77
LogP ≤ 55.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol with MolForge

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Related Compounds

6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866784
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
6-bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46868651
6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70681026
6-bromo-N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70681028
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70683150
6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70683152
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70689443
6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 70689445
6-bromo-2-(4-methoxyphenyl)-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-b]pyridine
CID 70695758
1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol
CID 49784793
(3R)-1-[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]pyrrolidin-3-ol
CID 59548314

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol?
The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol (CID 69209724) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol.
What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol?
The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol is CN(CCO)CC(O)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.Cc1cnc2nc(-c3ccc(OCC(O)CNCc4ccc(O)cc4)cc3)[nH]c2c1.
What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol?
The InChIKey is IQQHABCOJCQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3.C18H21BrN4O3/c1-15-10-21-23(25-11-15)27-22(26-21)17-4-8-20(9-5-17)30-14-19(29)13-24-12-16-2-6-18(28)7-3-16;1-23(6-7-24)10-14(25)11-26-15-4-2-12(3-5-15)17-21-16-8-13(19)9-20-18(16)22-17/h2-11,19,24,28-29H,12-14H2,1H3,(H,25,26,27);2-5,8-9,14,24-25H,6-7,10-11H2,1H3,(H,20,21,22).
What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol?
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol has a molecular weight of 825.77 g/mol, XLogP of 5.22, 16 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;4-[[[2-hydroxy-3-[4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]propyl]amino]methyl]phenol is sourced from PubChem (CID 69209724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).