4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid

C12H15N3O3 — CID 65483832

IUPAC4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
SMILESCOc1ccc2[nH]c(CC(C)CC(=O)O)nc2n1
InChIInChI=1S/C12H15N3O3/c1-7(6-11(16)17)5-9-13-8-3-4-10(18-2)15-12(8)14-9/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyYRQXQVAXOJPLEO-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.62
Rot. Bonds5

About 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid

4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid (PubChem CID 65483832) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
PubChem CID65483832
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
SMILESCOc1ccc2[nH]c(CC(C)CC(=O)O)nc2n1
InChIInChI=1S/C12H15N3O3/c1-7(6-11(16)17)5-9-13-8-3-4-10(18-2)15-12(8)14-9/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyYRQXQVAXOJPLEO-UHFFFAOYSA-N
XLogP1.62
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 62934312
2-ethyl-2-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]butanoic acid
CID 65484026
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
ethyl 2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 79474241
5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylpentan-1-amine
CID 65482865
2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482700
1-amino-3-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
CID 66001162
N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine
CID 65485408
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 104574011
5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79615004
5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103557135
N-[2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-2-methylpropan-2-amine
CID 65485009

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
The IUPAC name of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid (CID 65483832) is 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
The canonical SMILES for 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid is COc1ccc2[nH]c(CC(C)CC(=O)O)nc2n1.
What is the InChIKey of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
The InChIKey is YRQXQVAXOJPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(6-11(16)17)5-9-13-8-3-4-10(18-2)15-12(8)14-9/h3-4,7H,5-6H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid has a molecular weight of 249.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid is sourced from PubChem (CID 65483832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).