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

C21H17N3O3 — CID 86704834

IUPAC6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccn2nc(-c3ccccc3)c(Cc3cccc(C(=O)O)n3)c2c1
InChIInChI=1S/C21H17N3O3/c1-27-16-10-11-24-19(13-16)17(20(23-24)14-6-3-2-4-7-14)12-15-8-5-9-18(22-15)21(25)26/h2-11,13H,12H2,1H3,(H,25,26)
InChIKeyWDIYGCMLWLYDPG-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.69
Rot. Bonds5

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

6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 86704834) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID86704834
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccn2nc(-c3ccccc3)c(Cc3cccc(C(=O)O)n3)c2c1
InChIInChI=1S/C21H17N3O3/c1-27-16-10-11-24-19(13-16)17(20(23-24)14-6-3-2-4-7-14)12-15-8-5-9-18(22-15)21(25)26/h2-11,13H,12H2,1H3,(H,25,26)
InChIKeyWDIYGCMLWLYDPG-UHFFFAOYSA-N
XLogP3.69
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 86704834) is 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is COc1ccn2nc(-c3ccccc3)c(Cc3cccc(C(=O)O)n3)c2c1.
What is the InChIKey of 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is WDIYGCMLWLYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-27-16-10-11-24-19(13-16)17(20(23-24)14-6-3-2-4-7-14)12-15-8-5-9-18(22-15)21(25)26/h2-11,13H,12H2,1H3,(H,25,26).
What are the key properties of 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 86704834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).