6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine

C13H14BrN5 — CID 47052811

IUPAC6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nn(C)cc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17)
InChIKeyXYHWYOLLASBNRO-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.24
Rot. Bonds2

About 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 47052811) has the molecular formula C13H14BrN5 and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID47052811
Molecular FormulaC13H14BrN5
Molecular Weight320.19 g/mol
Exact Mass319.04
IUPAC Name6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESCC(C)c1nn(C)cc1-c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17)
InChIKeyXYHWYOLLASBNRO-UHFFFAOYSA-N
XLogP3.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine (CID 47052811) is 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine is CC(C)c1nn(C)cc1-c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is XYHWYOLLASBNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5/c1-7(2)11-9(6-19(3)18-11)12-16-10-4-8(14)5-15-13(10)17-12/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 320.19 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 47052811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).