6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

C21H16N4O2 — CID 71601064

IUPAC6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H16N4O2/c26-21(27)18-12-17(7-6-15-4-2-1-3-5-15)24-20-19(18)13-23-25(20)14-16-8-10-22-11-9-16/h1-13H,14H2,(H,26,27)/b7-6+
InChIKeyKDVONRTXBYEDRZ-VOTSOKGWSA-N
MW356.39 g/mol
LogP3.74
Rot. Bonds5

About 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 71601064) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID71601064
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H16N4O2/c26-21(27)18-12-17(7-6-15-4-2-1-3-5-15)24-20-19(18)13-23-25(20)14-16-8-10-22-11-9-16/h1-13H,14H2,(H,26,27)/b7-6+
InChIKeyKDVONRTXBYEDRZ-VOTSOKGWSA-N
XLogP3.74
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 71601064) is 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(/C=C/c2ccccc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is KDVONRTXBYEDRZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(27)18-12-17(7-6-15-4-2-1-3-5-15)24-20-19(18)13-23-25(20)14-16-8-10-22-11-9-16/h1-13H,14H2,(H,26,27)/b7-6+.
What are the key properties of 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 356.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-phenylethenyl]-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).