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

C22H17N3O3 — CID 86704843

IUPAC6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCC(=O)c1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C22H17N3O3/c1-14(26)16-10-11-20-18(12-17-8-5-9-19(23-17)22(27)28)21(24-25(20)13-16)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,27,28)
InChIKeyKCTSIHWEJOGBHJ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.89
Rot. Bonds5

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

6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 86704843) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID86704843
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCC(=O)c1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C22H17N3O3/c1-14(26)16-10-11-20-18(12-17-8-5-9-19(23-17)22(27)28)21(24-25(20)13-16)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,27,28)
InChIKeyKCTSIHWEJOGBHJ-UHFFFAOYSA-N
XLogP3.89
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 86704843) is 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is CC(=O)c1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.
What is the InChIKey of 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is KCTSIHWEJOGBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14(26)16-10-11-20-18(12-17-8-5-9-19(23-17)22(27)28)21(24-25(20)13-16)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,27,28).
What are the key properties of 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 371.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-acetyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 86704843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).