3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid

C24H23N3O5 — CID 68617162

IUPAC3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid
SMILESCOCCOCn1nc(-c2ccccc2OC)c2cc(-c3cccc(C(=O)O)c3)cnc21
InChIInChI=1S/C24H23N3O5/c1-30-10-11-32-15-27-23-20(22(26-27)19-8-3-4-9-21(19)31-2)13-18(14-25-23)16-6-5-7-17(12-16)24(28)29/h3-9,12-14H,10-11,15H2,1-2H3,(H,28,29)
InChIKeyHAIVMVUOWOTKRA-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.09
Rot. Bonds9

About 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid

3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid (PubChem CID 68617162) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid
PubChem CID68617162
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid
SMILESCOCCOCn1nc(-c2ccccc2OC)c2cc(-c3cccc(C(=O)O)c3)cnc21
InChIInChI=1S/C24H23N3O5/c1-30-10-11-32-15-27-23-20(22(26-27)19-8-3-4-9-21(19)31-2)13-18(14-25-23)16-6-5-7-17(12-16)24(28)29/h3-9,12-14H,10-11,15H2,1-2H3,(H,28,29)
InChIKeyHAIVMVUOWOTKRA-UHFFFAOYSA-N
XLogP4.09
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid?
The IUPAC name of 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid (CID 68617162) is 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid.
What is the SMILES notation for 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid?
The canonical SMILES for 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid is COCCOCn1nc(-c2ccccc2OC)c2cc(-c3cccc(C(=O)O)c3)cnc21.
What is the InChIKey of 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid?
The InChIKey is HAIVMVUOWOTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-30-10-11-32-15-27-23-20(22(26-27)19-8-3-4-9-21(19)31-2)13-18(14-25-23)16-6-5-7-17(12-16)24(28)29/h3-9,12-14H,10-11,15H2,1-2H3,(H,28,29).
What are the key properties of 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid?
3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid has a molecular weight of 433.46 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 68617162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).