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

C12H15N3O — CID 63722483

IUPAC7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(C3CCCCO3)[nH]c12
InChIInChI=1S/C12H15N3O/c1-8-5-6-13-12-10(8)14-11(15-12)9-4-2-3-7-16-9/h5-6,9H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyXBILBOKZRGYNHT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.51
Rot. Bonds1

About 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine

7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 63722483) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID63722483
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(C3CCCCO3)[nH]c12
InChIInChI=1S/C12H15N3O/c1-8-5-6-13-12-10(8)14-11(15-12)9-4-2-3-7-16-9/h5-6,9H,2-4,7H2,1H3,(H,13,14,15)
InChIKeyXBILBOKZRGYNHT-UHFFFAOYSA-N
XLogP2.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine (CID 63722483) is 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(C3CCCCO3)[nH]c12.
What is the InChIKey of 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is XBILBOKZRGYNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-5-6-13-12-10(8)14-11(15-12)9-4-2-3-7-16-9/h5-6,9H,2-4,7H2,1H3,(H,13,14,15).
What are the key properties of 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine?
7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 217.27 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 63722483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).