6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

C17H17N3O3 — CID 25252382

IUPAC6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2cnn(Cc3ccc(OC)cc3)c2n1
InChIInChI=1S/C17H17N3O3/c1-3-12-8-14(17(21)22)15-9-18-20(16(15)19-12)10-11-4-6-13(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyQPNFTSLBXWRIAS-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.75
Rot. Bonds5

About 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 25252382) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID25252382
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2cnn(Cc3ccc(OC)cc3)c2n1
InChIInChI=1S/C17H17N3O3/c1-3-12-8-14(17(21)22)15-9-18-20(16(15)19-12)10-11-4-6-13(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,21,22)
InChIKeyQPNFTSLBXWRIAS-UHFFFAOYSA-N
XLogP2.75
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 25252382) is 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)c2cnn(Cc3ccc(OC)cc3)c2n1.
What is the InChIKey of 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is QPNFTSLBXWRIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-12-8-14(17(21)22)15-9-18-20(16(15)19-12)10-11-4-6-13(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,21,22).
What are the key properties of 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25252382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).