3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid

C19H21N3O3 — CID 69193320

IUPAC3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid
SMILESCc1nc(Oc2ccccc2)c2nc(C)n(C(C)CC(=O)O)c2c1C
InChIInChI=1S/C19H21N3O3/c1-11(10-16(23)24)22-14(4)21-17-18(22)12(2)13(3)20-19(17)25-15-8-6-5-7-9-15/h5-9,11H,10H2,1-4H3,(H,23,24)
InChIKeyREJPXYZKJMIRKB-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.18
Rot. Bonds5

About 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid

3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid (PubChem CID 69193320) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid
PubChem CID69193320
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid
SMILESCc1nc(Oc2ccccc2)c2nc(C)n(C(C)CC(=O)O)c2c1C
InChIInChI=1S/C19H21N3O3/c1-11(10-16(23)24)22-14(4)21-17-18(22)12(2)13(3)20-19(17)25-15-8-6-5-7-9-15/h5-9,11H,10H2,1-4H3,(H,23,24)
InChIKeyREJPXYZKJMIRKB-UHFFFAOYSA-N
XLogP4.18
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid?
The IUPAC name of 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid (CID 69193320) is 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid.
What is the SMILES notation for 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid?
The canonical SMILES for 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid is Cc1nc(Oc2ccccc2)c2nc(C)n(C(C)CC(=O)O)c2c1C.
What is the InChIKey of 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid?
The InChIKey is REJPXYZKJMIRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-11(10-16(23)24)22-14(4)21-17-18(22)12(2)13(3)20-19(17)25-15-8-6-5-7-9-15/h5-9,11H,10H2,1-4H3,(H,23,24).
What are the key properties of 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid?
3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid has a molecular weight of 339.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6,7-trimethyl-4-phenoxyimidazo[4,5-c]pyridin-1-yl)butanoic acid is sourced from PubChem (CID 69193320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).