2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid

C16H23N3O2 — CID 82152081

IUPAC2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid
SMILESCCCc1nc2cc(C)cnc2n1C(CC)(CC)C(=O)O
InChIInChI=1S/C16H23N3O2/c1-5-8-13-18-12-9-11(4)10-17-14(12)19(13)16(6-2,7-3)15(20)21/h9-10H,5-8H2,1-4H3,(H,20,21)
InChIKeyAJGVPNIVJAMDBL-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.29
Rot. Bonds6

About 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid

2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid (PubChem CID 82152081) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid
PubChem CID82152081
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid
SMILESCCCc1nc2cc(C)cnc2n1C(CC)(CC)C(=O)O
InChIInChI=1S/C16H23N3O2/c1-5-8-13-18-12-9-11(4)10-17-14(12)19(13)16(6-2,7-3)15(20)21/h9-10H,5-8H2,1-4H3,(H,20,21)
InChIKeyAJGVPNIVJAMDBL-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061486
2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 93209564
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
2-(3-tert-butyl-6-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 79301170
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209597
2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 113470630
2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061729
2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid?
The IUPAC name of 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid (CID 82152081) is 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid is CCCc1nc2cc(C)cnc2n1C(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid?
The InChIKey is AJGVPNIVJAMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-8-13-18-12-9-11(4)10-17-14(12)19(13)16(6-2,7-3)15(20)21/h9-10H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid?
2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid has a molecular weight of 289.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid is sourced from PubChem (CID 82152081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).