1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C21H17N3O3 — CID 71602211

IUPAC1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2ncc3c(C(=O)O)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C21H17N3O3/c1-27-16-9-7-14(8-10-16)13-24-20-18(12-22-24)17(21(25)26)11-19(23-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,26)
InChIKeyMLTFLENPBLXKSW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.85
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71602211) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71602211
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCOc1ccc(Cn2ncc3c(C(=O)O)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C21H17N3O3/c1-27-16-9-7-14(8-10-16)13-24-20-18(12-22-24)17(21(25)26)11-19(23-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,26)
InChIKeyMLTFLENPBLXKSW-UHFFFAOYSA-N
XLogP3.85
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71602211) is 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is COc1ccc(Cn2ncc3c(C(=O)O)cc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is MLTFLENPBLXKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-27-16-9-7-14(8-10-16)13-24-20-18(12-22-24)17(21(25)26)11-19(23-20)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71602211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).