3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole

C24H18BrFN4O3 — CID 59243108

IUPAC3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc(OCc3ccccc3F)cc(-c3nc4ncc(Br)cc4[nH]3)c2)no1
InChIInChI=1S/C24H18BrFN4O3/c1-14-6-18(30-33-14)13-32-20-8-16(23-28-22-9-17(25)11-27-24(22)29-23)7-19(10-20)31-12-15-4-2-3-5-21(15)26/h2-11H,12-13H2,1H3,(H,27,28,29)
InChIKeyGAGRQECZAKTDLR-UHFFFAOYSA-N
MW509.34 g/mol
LogP5.98
Rot. Bonds7

About 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole

3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole (PubChem CID 59243108) has the molecular formula C24H18BrFN4O3 and a molecular weight of 509.34 g/mol. Its IUPAC name is 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole
PubChem CID59243108
Molecular FormulaC24H18BrFN4O3
Molecular Weight509.34 g/mol
Exact Mass508.05
IUPAC Name3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc(OCc3ccccc3F)cc(-c3nc4ncc(Br)cc4[nH]3)c2)no1
InChIInChI=1S/C24H18BrFN4O3/c1-14-6-18(30-33-14)13-32-20-8-16(23-28-22-9-17(25)11-27-24(22)29-23)7-19(10-20)31-12-15-4-2-3-5-21(15)26/h2-11H,12-13H2,1H3,(H,27,28,29)
InChIKeyGAGRQECZAKTDLR-UHFFFAOYSA-N
XLogP5.98
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.34
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole (CID 59243108) is 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole is Cc1cc(COc2cc(OCc3ccccc3F)cc(-c3nc4ncc(Br)cc4[nH]3)c2)no1.
What is the InChIKey of 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole?
The InChIKey is GAGRQECZAKTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrFN4O3/c1-14-6-18(30-33-14)13-32-20-8-16(23-28-22-9-17(25)11-27-24(22)29-23)7-19(10-20)31-12-15-4-2-3-5-21(15)26/h2-11H,12-13H2,1H3,(H,27,28,29).
What are the key properties of 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole?
3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole has a molecular weight of 509.34 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2-fluorophenyl)methoxy]phenoxy]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 59243108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).