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

C12H15N3O — CID 114826079

IUPAC6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(C3COC(C)C3)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-7-3-10-12(13-5-7)15-11(14-10)9-4-8(2)16-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,13,14,15)
InChIKeyHBDUXJWVKPYNJA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.16
Rot. Bonds1

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

6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 114826079) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID114826079
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(C3COC(C)C3)[nH]c2c1
InChIInChI=1S/C12H15N3O/c1-7-3-10-12(13-5-7)15-11(14-10)9-4-8(2)16-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,13,14,15)
InChIKeyHBDUXJWVKPYNJA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine (CID 114826079) is 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(C3COC(C)C3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is HBDUXJWVKPYNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-3-10-12(13-5-7)15-11(14-10)9-4-8(2)16-6-9/h3,5,8-9H,4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine?
6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 217.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-methyloxolan-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 114826079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).