3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid

C12H15N3O2 — CID 82061501

IUPAC3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCc1nc2cc(C)cnc2n1CCC(=O)O
InChIInChI=1S/C12H15N3O2/c1-3-10-14-9-6-8(2)7-13-12(9)15(10)5-4-11(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyUMMMRFVMXSXAHL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds4

About 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid

3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 82061501) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID82061501
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCc1nc2cc(C)cnc2n1CCC(=O)O
InChIInChI=1S/C12H15N3O2/c1-3-10-14-9-6-8(2)7-13-12(9)15(10)5-4-11(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyUMMMRFVMXSXAHL-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 82061501) is 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid is CCc1nc2cc(C)cnc2n1CCC(=O)O.
What is the InChIKey of 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is UMMMRFVMXSXAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-10-14-9-6-8(2)7-13-12(9)15(10)5-4-11(16)17/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 82061501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).