5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid

C24H23N3O3 — CID 67941649

IUPAC5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
SMILESCCOc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H23N3O3/c1-4-30-24-26-21-15(2)12-16(3)25-22(21)27(24)14-17-10-11-19(20(13-17)23(28)29)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,28,29)
InChIKeyFXQUSSXGUBBZSD-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.86
Rot. Bonds6

About 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid

5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid (PubChem CID 67941649) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid.

Molecular Properties

Compound Name5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
PubChem CID67941649
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid
SMILESCCOc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C24H23N3O3/c1-4-30-24-26-21-15(2)12-16(3)25-22(21)27(24)14-17-10-11-19(20(13-17)23(28)29)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,28,29)
InChIKeyFXQUSSXGUBBZSD-UHFFFAOYSA-N
XLogP4.86
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
The IUPAC name of 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid (CID 67941649) is 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid.
What is the SMILES notation for 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
The canonical SMILES for 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid is CCOc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
The InChIKey is FXQUSSXGUBBZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-4-30-24-26-21-15(2)12-16(3)25-22(21)27(24)14-17-10-11-19(20(13-17)23(28)29)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H,28,29).
What are the key properties of 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid?
5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid has a molecular weight of 401.47 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzoic acid is sourced from PubChem (CID 67941649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).