6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C21H18N4O4 — CID 9464088

IUPAC6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1OC
InChIInChI=1S/C21H18N4O4/c1-28-18-4-3-14(9-19(18)29-2)17-10-15(21(26)27)16-11-23-25(20(16)24-17)12-13-5-7-22-8-6-13/h3-11H,12H2,1-2H3,(H,26,27)
InChIKeyAYVNGWVUGKBOKO-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.26
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 9464088) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID9464088
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1OC
InChIInChI=1S/C21H18N4O4/c1-28-18-4-3-14(9-19(18)29-2)17-10-15(21(26)27)16-11-23-25(20(16)24-17)12-13-5-7-22-8-6-13/h3-11H,12H2,1-2H3,(H,26,27)
InChIKeyAYVNGWVUGKBOKO-UHFFFAOYSA-N
XLogP3.26
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-methoxy-4-methoxycarbonylphenyl) 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 47011339
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601060
N-[(1R)-1-cyclopropylethyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41042469
6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25252382
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 650903
1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
[4-(1,3,4-oxadiazol-2-yl)phenyl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 17455590
N-(2-methoxy-5-methylphenyl)-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 9244561
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 26708715
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 9464088) is 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3cnn(Cc4ccncc4)c3n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is AYVNGWVUGKBOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-28-18-4-3-14(9-19(18)29-2)17-10-15(21(26)27)16-11-23-25(20(16)24-17)12-13-5-7-22-8-6-13/h3-11H,12H2,1-2H3,(H,26,27).
What are the key properties of 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 390.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 9464088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).