2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid

C16H10N4O2S — CID 59180015

IUPAC2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3cccnc32)n1
InChIInChI=1S/C16H10N4O2S/c21-15(22)12-9-23-16(18-12)20-14-11(7-4-8-17-14)13(19-20)10-5-2-1-3-6-10/h1-9H,(H,21,22)
InChIKeyZMKSOIXCKCKMIW-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.24
Rot. Bonds3

About 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59180015) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59180015
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2nc(-c3ccccc3)c3cccnc32)n1
InChIInChI=1S/C16H10N4O2S/c21-15(22)12-9-23-16(18-12)20-14-11(7-4-8-17-14)13(19-20)10-5-2-1-3-6-10/h1-9H,(H,21,22)
InChIKeyZMKSOIXCKCKMIW-UHFFFAOYSA-N
XLogP3.24
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59180015) is 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2nc(-c3ccccc3)c3cccnc32)n1.
What is the InChIKey of 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZMKSOIXCKCKMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-15(22)12-9-23-16(18-12)20-14-11(7-4-8-17-14)13(19-20)10-5-2-1-3-6-10/h1-9H,(H,21,22).
What are the key properties of 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 322.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59180015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).