5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid

C12H8ClN3O2S — CID 178158051

IUPAC5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ncc3ncc(Cl)cc32)s1
InChIInChI=1S/C12H8ClN3O2S/c13-7-3-10-9(14-4-7)5-15-16(10)6-8-1-2-11(19-8)12(17)18/h1-5H,6H2,(H,17,18)
InChIKeyCREMJAGTYMIBDX-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.89
Rot. Bonds3

About 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid

5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 178158051) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID178158051
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC Name5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2ncc3ncc(Cl)cc32)s1
InChIInChI=1S/C12H8ClN3O2S/c13-7-3-10-9(14-4-7)5-15-16(10)6-8-1-2-11(19-8)12(17)18/h1-5H,6H2,(H,17,18)
InChIKeyCREMJAGTYMIBDX-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-Chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123776027
6-[(6-Chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123243963
5-(((5-Chloro-2-methylpyridin-3-yl)amino)methyl)thiophene-2-carboxylic acid
CID 70982044
5-[[(5-Chloro-3-pyridinyl)-ethylamino]methyl]thiophene-2-carboxylic acid
CID 123741284
3-(5-Chlorothiophen-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 170977883
5-[[(5-Chloro-3-pyridinyl)-methylamino]methyl]thiophene-2-carboxylic acid
CID 171424415
2-Pyridin-3-ylthieno[3,2-c]pyrazole-5-carboxylic acid
CID 171491032
Methyl 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylate
CID 178158020
Methyl 5-[(6-chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylate
CID 178158184
5-[(6-Chloroimidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxylic acid
CID 178158189
5-[(6-Chloropyrrolo[3,2-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
CID 178158204
5-[(6-Chloroimidazo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid
CID 178158221

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid (CID 178158051) is 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(Cn2ncc3ncc(Cl)cc32)s1.
What is the InChIKey of 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is CREMJAGTYMIBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c13-7-3-10-9(14-4-7)5-15-16(10)6-8-1-2-11(19-8)12(17)18/h1-5H,6H2,(H,17,18).
What are the key properties of 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid?
5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 293.74 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloropyrazolo[4,5-b]pyridin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 178158051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).