3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid

C24H24N4O3 — CID 71520978

IUPAC3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-n2c(C(=O)O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C24H24N4O3/c1-3-16-5-7-17(8-6-16)14-25-18-13-21-22(26-15-18)28(23(27-21)24(29)30)19-9-11-20(12-10-19)31-4-2/h5-13,15,25H,3-4,14H2,1-2H3,(H,29,30)
InChIKeyBVBJWAWNJMTFAL-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.69
Rot. Bonds8

About 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid

3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid (PubChem CID 71520978) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid
PubChem CID71520978
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid
SMILESCCOc1ccc(-n2c(C(=O)O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1
InChIInChI=1S/C24H24N4O3/c1-3-16-5-7-17(8-6-16)14-25-18-13-21-22(26-15-18)28(23(27-21)24(29)30)19-9-11-20(12-10-19)31-4-2/h5-13,15,25H,3-4,14H2,1-2H3,(H,29,30)
InChIKeyBVBJWAWNJMTFAL-UHFFFAOYSA-N
XLogP4.69
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid (CID 71520978) is 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid is CCOc1ccc(-n2c(C(=O)O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid?
The InChIKey is BVBJWAWNJMTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-16-5-7-17(8-6-16)14-25-18-13-21-22(26-15-18)28(23(27-21)24(29)30)19-9-11-20(12-10-19)31-4-2/h5-13,15,25H,3-4,14H2,1-2H3,(H,29,30).
What are the key properties of 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid?
3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid has a molecular weight of 416.48 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 71520978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).