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

C18H12ClN3O2S — CID 123776027

IUPAC6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccsc3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H12ClN3O2S/c19-12-4-5-16-14(8-13-2-1-3-15(20-13)18(23)24)17(21-22(16)9-12)11-6-7-25-10-11/h1-7,9-10H,8H2,(H,23,24)
InChIKeyAKWLYOAQGIIADE-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.40
Rot. Bonds4

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

6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 123776027) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID123776027
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC Name6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3ccsc3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H12ClN3O2S/c19-12-4-5-16-14(8-13-2-1-3-15(20-13)18(23)24)17(21-22(16)9-12)11-6-7-25-10-11/h1-7,9-10H,8H2,(H,23,24)
InChIKeyAKWLYOAQGIIADE-UHFFFAOYSA-N
XLogP4.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 123776027) is 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3ccsc3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is AKWLYOAQGIIADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-12-4-5-16-14(8-13-2-1-3-15(20-13)18(23)24)17(21-22(16)9-12)11-6-7-25-10-11/h1-7,9-10H,8H2,(H,23,24).
What are the key properties of 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 369.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123776027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).