4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid

C15H21N3O2 — CID 20955384

IUPAC4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid
SMILESCC(C)CCn1c(CCCC(=O)O)nc2cccnc21
InChIInChI=1S/C15H21N3O2/c1-11(2)8-10-18-13(6-3-7-14(19)20)17-12-5-4-9-16-15(12)18/h4-5,9,11H,3,6-8,10H2,1-2H3,(H,19,20)
InChIKeyXEZWBVBRQWZIOL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.88
Rot. Bonds7

About 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid

4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid (PubChem CID 20955384) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid
PubChem CID20955384
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid
SMILESCC(C)CCn1c(CCCC(=O)O)nc2cccnc21
InChIInChI=1S/C15H21N3O2/c1-11(2)8-10-18-13(6-3-7-14(19)20)17-12-5-4-9-16-15(12)18/h4-5,9,11H,3,6-8,10H2,1-2H3,(H,19,20)
InChIKeyXEZWBVBRQWZIOL-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46359991
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butan-1-one
CID 46359973
N-(3-chloro-4-methoxyphenyl)-4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360002
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 79289500
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 79294885
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid?
The IUPAC name of 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid (CID 20955384) is 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid.
What is the SMILES notation for 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid?
The canonical SMILES for 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid is CC(C)CCn1c(CCCC(=O)O)nc2cccnc21.
What is the InChIKey of 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid?
The InChIKey is XEZWBVBRQWZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)8-10-18-13(6-3-7-14(19)20)17-12-5-4-9-16-15(12)18/h4-5,9,11H,3,6-8,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid?
4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]butanoic acid is sourced from PubChem (CID 20955384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).