ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate

C21H18N4O2 — CID 71601939

IUPACethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H18N4O2/c1-2-27-21(26)17-12-19(16-6-4-3-5-7-16)24-20-18(17)13-23-25(20)14-15-8-10-22-11-9-15/h3-13H,2,14H2,1H3
InChIKeyHHTIQWMYNWADNA-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.72
Rot. Bonds5

About ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 71601939) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID71601939
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Nameethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C21H18N4O2/c1-2-27-21(26)17-12-19(16-6-4-3-5-7-16)24-20-18(17)13-23-25(20)14-15-8-10-22-11-9-15/h3-13H,2,14H2,1H3
InChIKeyHHTIQWMYNWADNA-UHFFFAOYSA-N
XLogP3.72
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 71601939) is ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is HHTIQWMYNWADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-2-27-21(26)17-12-19(16-6-4-3-5-7-16)24-20-18(17)13-23-25(20)14-15-8-10-22-11-9-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 71601939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).