2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid

C12H15N3O2 — CID 82475545

IUPAC2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCCCc1nc2cc(C(=O)O)cnc2n1C
InChIInChI=1S/C12H15N3O2/c1-3-4-5-10-14-9-6-8(12(16)17)7-13-11(9)15(10)2/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyPLMWYHRAVOEXGW-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.01
Rot. Bonds4

About 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid

2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82475545) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82475545
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCCCc1nc2cc(C(=O)O)cnc2n1C
InChIInChI=1S/C12H15N3O2/c1-3-4-5-10-14-9-6-8(12(16)17)7-13-11(9)15(10)2/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyPLMWYHRAVOEXGW-UHFFFAOYSA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82479909
3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475538
4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid
CID 82070616
3-cyclopentyl-2-propylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488832
2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061486
2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061730
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
(3S)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methyloctan-1-one
CID 159187628
3-[1-[(2-butyl-3-methylimidazo[4,5-b]pyridin-6-yl)methyl]-4-(dimethylamino)piperidin-4-yl]phenol
CID 153396634
(3R)-1-[2-[(2,6-dichlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-6-yl]-3-methylnonan-1-one
CID 158869224
methyl 2-[2-(4-cyanophenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 18412708
4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
CID 117166780

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 82475545) is 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid is CCCCc1nc2cc(C(=O)O)cnc2n1C.
What is the InChIKey of 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is PLMWYHRAVOEXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-5-10-14-9-6-8(12(16)17)7-13-11(9)15(10)2/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82475545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).