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

C20H16N4O2 — CID 158313939

IUPAC6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cncc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C20H16N4O2/c1-13-7-8-18-16(9-15-10-21-11-17(22-15)20(25)26)19(23-24(18)12-13)14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,25,26)
InChIKeyPUWHOGWCYQOAFV-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.39
Rot. Bonds4

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

6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid (PubChem CID 158313939) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid
PubChem CID158313939
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cncc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C20H16N4O2/c1-13-7-8-18-16(9-15-10-21-11-17(22-15)20(25)26)19(23-24(18)12-13)14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,25,26)
InChIKeyPUWHOGWCYQOAFV-UHFFFAOYSA-N
XLogP3.39
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid (CID 158313939) is 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid is Cc1ccc2c(Cc3cncc(C(=O)O)n3)c(-c3ccccc3)nn2c1.
What is the InChIKey of 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid?
The InChIKey is PUWHOGWCYQOAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-7-8-18-16(9-15-10-21-11-17(22-15)20(25)26)19(23-24(18)12-13)14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,25,26).
What are the key properties of 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid?
6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 158313939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).