6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

C21H14N4O2 — CID 86704841

IUPAC6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C21H14N4O2/c22-12-14-9-10-19-17(11-16-7-4-8-18(23-16)21(26)27)20(24-25(19)13-14)15-5-2-1-3-6-15/h1-10,13H,11H2,(H,26,27)
InChIKeyFYYWXCPCCFSLEV-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.56
Rot. Bonds4

About 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 86704841) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID86704841
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C21H14N4O2/c22-12-14-9-10-19-17(11-16-7-4-8-18(23-16)21(26)27)20(24-25(19)13-14)15-5-2-1-3-6-15/h1-10,13H,11H2,(H,26,27)
InChIKeyFYYWXCPCCFSLEV-UHFFFAOYSA-N
XLogP3.56
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 86704841) is 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is N#Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.
What is the InChIKey of 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is FYYWXCPCCFSLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c22-12-14-9-10-19-17(11-16-7-4-8-18(23-16)21(26)27)20(24-25(19)13-14)15-5-2-1-3-6-15/h1-10,13H,11H2,(H,26,27).
What are the key properties of 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 86704841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).