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

C12H15N3O2 — CID 81137605

IUPAC5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid
SMILESCc1ccc2[nH]c(CCCCC(=O)O)nc2n1
InChIInChI=1S/C12H15N3O2/c1-8-6-7-9-12(13-8)15-10(14-9)4-2-3-5-11(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyJMKHTWUGAUTUKN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.06
Rot. Bonds5

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

5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid (PubChem CID 81137605) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid
PubChem CID81137605
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid
SMILESCc1ccc2[nH]c(CCCCC(=O)O)nc2n1
InChIInChI=1S/C12H15N3O2/c1-8-6-7-9-12(13-8)15-10(14-9)4-2-3-5-11(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyJMKHTWUGAUTUKN-UHFFFAOYSA-N
XLogP2.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137539
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
5-(6-bromo-1H-benzimidazol-2-yl)pentanoic acid
CID 54920063
5-(5,6-difluoro-1H-benzimidazol-2-yl)pentanoic acid
CID 43470849
5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
CID 82001351
2-propyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 130705281
3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid
CID 83857665
3-(5-chloro-4-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 84629227
tert-butyl N-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]carbamate
CID 22308635
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
CID 80502897
5-methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde
CID 81136829

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid?
The IUPAC name of 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid (CID 81137605) is 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid.
What is the SMILES notation for 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid?
The canonical SMILES for 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid is Cc1ccc2[nH]c(CCCCC(=O)O)nc2n1.
What is the InChIKey of 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid?
The InChIKey is JMKHTWUGAUTUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-6-7-9-12(13-8)15-10(14-9)4-2-3-5-11(16)17/h6-7H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid?
5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)pentanoic acid is sourced from PubChem (CID 81137605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).