2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid

C14H9N5O2S — CID 172583422

IUPAC2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCn1cc2cc(-c3cnc4sc(C(=O)O)cc4n3)cnc2n1
InChIInChI=1S/C14H9N5O2S/c1-19-6-8-2-7(4-15-12(8)18-19)10-5-16-13-9(17-10)3-11(22-13)14(20)21/h2-6H,1H3,(H,20,21)
InChIKeyHIXMHZLTDBVVDW-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.34
Rot. Bonds2

About 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid

2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 172583422) has the molecular formula C14H9N5O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid
PubChem CID172583422
Molecular FormulaC14H9N5O2S
Molecular Weight311.33 g/mol
Exact Mass311.05
IUPAC Name2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid
SMILESCn1cc2cc(-c3cnc4sc(C(=O)O)cc4n3)cnc2n1
InChIInChI=1S/C14H9N5O2S/c1-19-6-8-2-7(4-15-12(8)18-19)10-5-16-13-9(17-10)3-11(22-13)14(20)21/h2-6H,1H3,(H,20,21)
InChIKeyHIXMHZLTDBVVDW-UHFFFAOYSA-N
XLogP2.34
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid (CID 172583422) is 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid is Cn1cc2cc(-c3cnc4sc(C(=O)O)cc4n3)cnc2n1.
What is the InChIKey of 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is HIXMHZLTDBVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2S/c1-19-6-8-2-7(4-15-12(8)18-19)10-5-16-13-9(17-10)3-11(22-13)14(20)21/h2-6H,1H3,(H,20,21).
What are the key properties of 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid?
2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 311.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 172583422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).