1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)

C57H63Br3N12O7 — CID 87963635

IUPAC1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCOCC1
InChIInChI=1S/C19H21BrN4O3.2C19H21BrN4O2/c20-14-9-17-19(21-10-14)23-18(22-17)13-1-3-16(4-2-13)27-12-15(25)11-24-5-7-26-8-6-24;2*20-14-9-17-19(21-10-14)23-18(22-17)13-3-5-16(6-4-13)26-12-15(25)11-24-7-1-2-8-24/h1-4,9-10,15,25H,5-8,11-12H2,(H,21,22,23);2*3-6,9-10,15,25H,1-2,7-8,11-12H2,(H,21,22,23)
InChIKeyCMUHYACPMNZTSG-UHFFFAOYSA-N
MW1267.92 g/mol
LogP8.91
Rot. Bonds18

About 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol) (PubChem CID 87963635) has the molecular formula C57H63Br3N12O7 and a molecular weight of 1267.92 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol).

Molecular Properties

Compound Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)
PubChem CID87963635
Molecular FormulaC57H63Br3N12O7
Molecular Weight1267.92 g/mol
Exact Mass1264.25
IUPAC Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)
SMILESOC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCOCC1
InChIInChI=1S/C19H21BrN4O3.2C19H21BrN4O2/c20-14-9-17-19(21-10-14)23-18(22-17)13-1-3-16(4-2-13)27-12-15(25)11-24-5-7-26-8-6-24;2*20-14-9-17-19(21-10-14)23-18(22-17)13-3-5-16(6-4-13)26-12-15(25)11-24-7-1-2-8-24/h1-4,9-10,15,25H,5-8,11-12H2,(H,21,22,23);2*3-6,9-10,15,25H,1-2,7-8,11-12H2,(H,21,22,23)
InChIKeyCMUHYACPMNZTSG-UHFFFAOYSA-N
XLogP8.91
TPSA232.04 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001267.92
LogP ≤ 58.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)?
The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol) (CID 87963635) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol).
What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)?
The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol) is OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCCC1.OC(COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)CN1CCOCC1.
What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)?
The InChIKey is CMUHYACPMNZTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3.2C19H21BrN4O2/c20-14-9-17-19(21-10-14)23-18(22-17)13-1-3-16(4-2-13)27-12-15(25)11-24-5-7-26-8-6-24;2*20-14-9-17-19(21-10-14)23-18(22-17)13-3-5-16(6-4-13)26-12-15(25)11-24-7-1-2-8-24/h1-4,9-10,15,25H,5-8,11-12H2,(H,21,22,23);2*3-6,9-10,15,25H,1-2,7-8,11-12H2,(H,21,22,23).
What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol)?
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol) has a molecular weight of 1267.92 g/mol, XLogP of 8.91, 18 rotatable bonds, 6 hydrogen bond donors, and 16 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-morpholin-4-ylpropan-2-ol;bis(1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol) is sourced from PubChem (CID 87963635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).