1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid

C16H15N3O2 — CID 63771899

IUPAC1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCc1ccc(Cn2ncc3ccc(C(=O)O)nc32)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-3-5-12(6-4-11)10-19-15-13(9-17-19)7-8-14(18-15)16(20)21/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyAHYLAAQKWLZJQT-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.74
Rot. Bonds4

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

1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 63771899) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID63771899
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCc1ccc(Cn2ncc3ccc(C(=O)O)nc32)cc1
InChIInChI=1S/C16H15N3O2/c1-2-11-3-5-12(6-4-11)10-19-15-13(9-17-19)7-8-14(18-15)16(20)21/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyAHYLAAQKWLZJQT-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 63771899) is 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is CCc1ccc(Cn2ncc3ccc(C(=O)O)nc32)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is AHYLAAQKWLZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-11-3-5-12(6-4-11)10-19-15-13(9-17-19)7-8-14(18-15)16(20)21/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 63771899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).