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

C14H19N3O2 — CID 82061452

IUPAC2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(CC(C)C)n2C(C)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-8(2)5-12-16-11-6-9(3)7-15-13(11)17(12)10(4)14(18)19/h6-8,10H,5H2,1-4H3,(H,18,19)
InChIKeyGNMGBSPWJKHUCM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.58
Rot. Bonds4

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

2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (PubChem CID 82061452) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
PubChem CID82061452
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(CC(C)C)n2C(C)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-8(2)5-12-16-11-6-9(3)7-15-13(11)17(12)10(4)14(18)19/h6-8,10H,5H2,1-4H3,(H,18,19)
InChIKeyGNMGBSPWJKHUCM-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061458
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
CID 79301792
2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061729
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 79300800
2-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061730
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
2-(2-chloroethyl)-6-methyl-3-(3-methylbutan-2-yl)imidazo[4,5-b]pyridine
CID 79300995
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092
2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79301723
6-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79301756

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (CID 82061452) is 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is Cc1cnc2c(c1)nc(CC(C)C)n2C(C)C(=O)O.
What is the InChIKey of 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The InChIKey is GNMGBSPWJKHUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)5-12-16-11-6-9(3)7-15-13(11)17(12)10(4)14(18)19/h6-8,10H,5H2,1-4H3,(H,18,19).
What are the key properties of 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 82061452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).