2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid

C14H19N3O3 — CID 65484026

IUPAC2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid
SMILESCCC(CC)(Cc1nc2nc(OC)ccc2[nH]1)C(=O)O
InChIInChI=1S/C14H19N3O3/c1-4-14(5-2,13(18)19)8-10-15-9-6-7-11(20-3)17-12(9)16-10/h6-7H,4-5,8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyQKCSSPYZORAMLK-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.40
Rot. Bonds6

About 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid

2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid (PubChem CID 65484026) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid
PubChem CID65484026
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid
SMILESCCC(CC)(Cc1nc2nc(OC)ccc2[nH]1)C(=O)O
InChIInChI=1S/C14H19N3O3/c1-4-14(5-2,13(18)19)8-10-15-9-6-7-11(20-3)17-12(9)16-10/h6-7H,4-5,8H2,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyQKCSSPYZORAMLK-UHFFFAOYSA-N
XLogP2.40
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid (CID 65484026) is 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid is CCC(CC)(Cc1nc2nc(OC)ccc2[nH]1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid?
The InChIKey is QKCSSPYZORAMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-4-14(5-2,13(18)19)8-10-15-9-6-7-11(20-3)17-12(9)16-10/h6-7H,4-5,8H2,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid?
2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid is sourced from PubChem (CID 65484026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).