3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid

C11H13N3O2 — CID 84684642

IUPAC3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)nc2cccnc21
InChIInChI=1S/C11H13N3O2/c1-7(2)6-14-9-8(4-3-5-12-9)13-10(14)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyIZTDESYQVSCJKA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.79
Rot. Bonds3

About 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid

3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid (PubChem CID 84684642) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
PubChem CID84684642
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)nc2cccnc21
InChIInChI=1S/C11H13N3O2/c1-7(2)6-14-9-8(4-3-5-12-9)13-10(14)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyIZTDESYQVSCJKA-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 53189854
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid
CID 20955384
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 83272666
methyl 3-ethylimidazo[4,5-b]pyridine-2-carboxylate
CID 112617607
2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
CID 117160904
N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 83272706
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
2-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165487

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid (CID 84684642) is 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid is CC(C)Cn1c(C(=O)O)nc2cccnc21.
What is the InChIKey of 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid?
The InChIKey is IZTDESYQVSCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)6-14-9-8(4-3-5-12-9)13-10(14)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid?
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 84684642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).