6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

C20H13Cl2N3O2 — CID 123578350

IUPAC6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccccc3Cl)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H13Cl2N3O2/c21-12-8-9-18-15(10-13-4-3-7-17(23-13)20(26)27)19(24-25(18)11-12)14-5-1-2-6-16(14)22/h1-9,11H,10H2,(H,26,27)
InChIKeyRGRJKXLHYAGXDB-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.99
Rot. Bonds4

About 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 123578350) has the molecular formula C20H13Cl2N3O2 and a molecular weight of 398.25 g/mol. Its IUPAC name is 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID123578350
Molecular FormulaC20H13Cl2N3O2
Molecular Weight398.25 g/mol
Exact Mass397.04
IUPAC Name6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccccc3Cl)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C20H13Cl2N3O2/c21-12-8-9-18-15(10-13-4-3-7-17(23-13)20(26)27)19(24-25(18)11-12)14-5-1-2-6-16(14)22/h1-9,11H,10H2,(H,26,27)
InChIKeyRGRJKXLHYAGXDB-UHFFFAOYSA-N
XLogP4.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 123578350) is 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3ccccc3Cl)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is RGRJKXLHYAGXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O2/c21-12-8-9-18-15(10-13-4-3-7-17(23-13)20(26)27)19(24-25(18)11-12)14-5-1-2-6-16(14)22/h1-9,11H,10H2,(H,26,27).
What are the key properties of 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 398.25 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123578350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).