4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid

C23H28N4O2 — CID 23156131

IUPAC4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c2nc(C)n(Cc3ccc(NC4CCC(C(=O)O)CC4)cc3)c2n1
InChIInChI=1S/C23H28N4O2/c1-14-12-15(2)24-22-21(14)25-16(3)27(22)13-17-4-8-19(9-5-17)26-20-10-6-18(7-11-20)23(28)29/h4-5,8-9,12,18,20,26H,6-7,10-11,13H2,1-3H3,(H,28,29)
InChIKeyUUYSXRRNCYKYGY-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.46
Rot. Bonds5

About 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid

4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid (PubChem CID 23156131) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid
PubChem CID23156131
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C)c2nc(C)n(Cc3ccc(NC4CCC(C(=O)O)CC4)cc3)c2n1
InChIInChI=1S/C23H28N4O2/c1-14-12-15(2)24-22-21(14)25-16(3)27(22)13-17-4-8-19(9-5-17)26-20-10-6-18(7-11-20)23(28)29/h4-5,8-9,12,18,20,26H,6-7,10-11,13H2,1-3H3,(H,28,29)
InChIKeyUUYSXRRNCYKYGY-UHFFFAOYSA-N
XLogP4.46
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-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 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid (CID 23156131) is 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid is Cc1cc(C)c2nc(C)n(Cc3ccc(NC4CCC(C(=O)O)CC4)cc3)c2n1.
What is the InChIKey of 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
The InChIKey is UUYSXRRNCYKYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-14-12-15(2)24-22-21(14)25-16(3)27(22)13-17-4-8-19(9-5-17)26-20-10-6-18(7-11-20)23(28)29/h4-5,8-9,12,18,20,26H,6-7,10-11,13H2,1-3H3,(H,28,29).
What are the key properties of 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid?
4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid has a molecular weight of 392.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,5,7-trimethylimidazo[4,5-b]pyridin-3-yl)methyl]anilino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 23156131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).