2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C23H27N3O4 — CID 59243089

IUPAC2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCC(C)Oc1cc(OCC2CCCCC2)cc(-c2nc3ncc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C23H27N3O4/c1-14(2)30-19-9-16(8-18(11-19)29-13-15-6-4-3-5-7-15)21-25-20-10-17(23(27)28)12-24-22(20)26-21/h8-12,14-15H,3-7,13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyGMWIOQXDUJBIJO-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.07
Rot. Bonds7

About 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 59243089) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID59243089
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCC(C)Oc1cc(OCC2CCCCC2)cc(-c2nc3ncc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C23H27N3O4/c1-14(2)30-19-9-16(8-18(11-19)29-13-15-6-4-3-5-7-15)21-25-20-10-17(23(27)28)12-24-22(20)26-21/h8-12,14-15H,3-7,13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyGMWIOQXDUJBIJO-UHFFFAOYSA-N
XLogP5.07
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 59243089) is 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is CC(C)Oc1cc(OCC2CCCCC2)cc(-c2nc3ncc(C(=O)O)cc3[nH]2)c1.
What is the InChIKey of 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is GMWIOQXDUJBIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14(2)30-19-9-16(8-18(11-19)29-13-15-6-4-3-5-7-15)21-25-20-10-17(23(27)28)12-24-22(20)26-21/h8-12,14-15H,3-7,13H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 409.49 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethoxy)-5-propan-2-yloxyphenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 59243089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).