5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid

C21H25N3O2 — CID 91287369

IUPAC5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid
SMILESCCc1nc2cc(C)c(C)nc2n1-c1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C21H25N3O2/c1-4-19-23-18-13-14(2)15(3)22-21(18)24(19)17-11-9-16(10-12-17)7-5-6-8-20(25)26/h9-13H,4-8H2,1-3H3,(H,25,26)
InChIKeyGGEKRQUYQCQVLV-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.40
Rot. Bonds7

About 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid

5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid (PubChem CID 91287369) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid
PubChem CID91287369
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid
SMILESCCc1nc2cc(C)c(C)nc2n1-c1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C21H25N3O2/c1-4-19-23-18-13-14(2)15(3)22-21(18)24(19)17-11-9-16(10-12-17)7-5-6-8-20(25)26/h9-13H,4-8H2,1-3H3,(H,25,26)
InChIKeyGGEKRQUYQCQVLV-UHFFFAOYSA-N
XLogP4.40
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
The IUPAC name of 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid (CID 91287369) is 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
The canonical SMILES for 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid is CCc1nc2cc(C)c(C)nc2n1-c1ccc(CCCCC(=O)O)cc1.
What is the InChIKey of 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
The InChIKey is GGEKRQUYQCQVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-19-23-18-13-14(2)15(3)22-21(18)24(19)17-11-9-16(10-12-17)7-5-6-8-20(25)26/h9-13H,4-8H2,1-3H3,(H,25,26).
What are the key properties of 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid has a molecular weight of 351.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethyl-5,6-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid is sourced from PubChem (CID 91287369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).