1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol

C22H20BrClN4O2 — CID 10074205

IUPAC1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol
SMILESOC(CNCc1cccc(Cl)c1)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C22H20BrClN4O2/c23-16-9-20-22(26-11-16)28-21(27-20)15-4-6-19(7-5-15)30-13-18(29)12-25-10-14-2-1-3-17(24)8-14/h1-9,11,18,25,29H,10,12-13H2,(H,26,27,28)
InChIKeyAEWAGLISHQTZJG-UHFFFAOYSA-N
MW487.79 g/mol
LogP4.57
Rot. Bonds8

About 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol

1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol (PubChem CID 10074205) has the molecular formula C22H20BrClN4O2 and a molecular weight of 487.79 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol
PubChem CID10074205
Molecular FormulaC22H20BrClN4O2
Molecular Weight487.79 g/mol
Exact Mass486.05
IUPAC Name1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol
SMILESOC(CNCc1cccc(Cl)c1)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C22H20BrClN4O2/c23-16-9-20-22(26-11-16)28-21(27-20)15-4-6-19(7-5-15)30-13-18(29)12-25-10-14-2-1-3-17(24)8-14/h1-9,11,18,25,29H,10,12-13H2,(H,26,27,28)
InChIKeyAEWAGLISHQTZJG-UHFFFAOYSA-N
XLogP4.57
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.79
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol?
The IUPAC name of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol (CID 10074205) is 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol is OC(CNCc1cccc(Cl)c1)COc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol?
The InChIKey is AEWAGLISHQTZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN4O2/c23-16-9-20-22(26-11-16)28-21(27-20)15-4-6-19(7-5-15)30-13-18(29)12-25-10-14-2-1-3-17(24)8-14/h1-9,11,18,25,29H,10,12-13H2,(H,26,27,28).
What are the key properties of 1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol?
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol has a molecular weight of 487.79 g/mol, XLogP of 4.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 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-[(3-chlorophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 10074205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).