6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

C23H19N3O2 — CID 86704838

IUPAC6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESC=C(C)c1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C23H19N3O2/c1-15(2)17-11-12-21-19(13-18-9-6-10-20(24-18)23(27)28)22(25-26(21)14-17)16-7-4-3-5-8-16/h3-12,14H,1,13H2,2H3,(H,27,28)
InChIKeyZRSKQGABHYUEHQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.72
Rot. Bonds5

About 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 86704838) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID86704838
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESC=C(C)c1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C23H19N3O2/c1-15(2)17-11-12-21-19(13-18-9-6-10-20(24-18)23(27)28)22(25-26(21)14-17)16-7-4-3-5-8-16/h3-12,14H,1,13H2,2H3,(H,27,28)
InChIKeyZRSKQGABHYUEHQ-UHFFFAOYSA-N
XLogP4.72
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 86704838) is 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is C=C(C)c1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.
What is the InChIKey of 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is ZRSKQGABHYUEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15(2)17-11-12-21-19(13-18-9-6-10-20(24-18)23(27)28)22(25-26(21)14-17)16-7-4-3-5-8-16/h3-12,14H,1,13H2,2H3,(H,27,28).
What are the key properties of 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 86704838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).