5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine

C12H15N3O2 — CID 65484248

IUPAC5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3CCCOC3)nc2n1
InChIInChI=1S/C12H15N3O2/c1-16-10-5-4-9-12(14-10)15-11(13-9)8-3-2-6-17-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyORUKBMCGRFULJU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.86
Rot. Bonds2

About 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine

5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 65484248) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID65484248
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(C3CCCOC3)nc2n1
InChIInChI=1S/C12H15N3O2/c1-16-10-5-4-9-12(14-10)15-11(13-9)8-3-2-6-17-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,13,14,15)
InChIKeyORUKBMCGRFULJU-UHFFFAOYSA-N
XLogP1.86
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine (CID 65484248) is 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(C3CCCOC3)nc2n1.
What is the InChIKey of 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ORUKBMCGRFULJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-10-5-4-9-12(14-10)15-11(13-9)8-3-2-6-17-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,13,14,15).
What are the key properties of 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 233.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(oxan-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65484248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).