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

C14H19N3O2 — CID 82061486

IUPAC2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCCc1nc2cc(C)cnc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-5-6-11-16-10-7-9(2)8-15-12(10)17(11)14(3,4)13(18)19/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyVSOQAOSJGHUDRH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.51
Rot. Bonds4

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

2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 82061486) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID82061486
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCCCc1nc2cc(C)cnc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-5-6-11-16-10-7-9(2)8-15-12(10)17(11)14(3,4)13(18)19/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyVSOQAOSJGHUDRH-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid
CID 82152081
2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 93209564
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061496
2-(3-tert-butyl-6-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 79301170
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-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 113470630
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
1-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropan-2-amine
CID 82144185
2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 82061486) is 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid is CCCc1nc2cc(C)cnc2n1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is VSOQAOSJGHUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-6-11-16-10-7-9(2)8-15-12(10)17(11)14(3,4)13(18)19/h7-8H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 82061486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).