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

C11H13N3O2 — CID 62934312

IUPAC4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cc1nc2ncccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-7(6-10(15)16)5-9-13-8-3-2-4-12-11(8)14-9/h2-4,7H,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyTVSIKUUVPCKUEJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.61
Rot. Bonds4

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

4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid (PubChem CID 62934312) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
PubChem CID62934312
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
SMILESCC(CC(=O)O)Cc1nc2ncccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-7(6-10(15)16)5-9-13-8-3-2-4-12-11(8)14-9/h2-4,7H,5-6H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyTVSIKUUVPCKUEJ-UHFFFAOYSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid
CID 65483832
N-ethyl-1-(1H-imidazo[4,5-b]pyridin-2-yl)propan-2-amine
CID 62827619
1H-imidazo[4,5-b]pyridin-2-ylmethyl(triphenyl)phosphanium
CID 86059470
ethane;ethyl 2-(1H-imidazo[4,5-b]pyridin-2-yl)acetate
CID 91082689
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
CID 83857685
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 104574011
tert-butyl N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
CID 57366772
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1-phenylpropyl]sulfanylacetic acid
CID 132770447
4-(1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbutan-1-amine
CID 14855677
methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-2-phenylacetate
CID 7305447

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid (CID 62934312) is 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid is CC(CC(=O)O)Cc1nc2ncccc2[nH]1.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
The InChIKey is TVSIKUUVPCKUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(6-10(15)16)5-9-13-8-3-2-4-12-11(8)14-9/h2-4,7H,5-6H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid?
4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methylbutanoic acid is sourced from PubChem (CID 62934312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).