2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid

C15H13N3O2S — CID 19625321

IUPAC2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(C2CC2)c2c(-c3cccs3)ccnc21
InChIInChI=1S/C15H13N3O2S/c19-12(20)8-18-15-13(14(17-18)9-3-4-9)10(5-6-16-15)11-2-1-7-21-11/h1-2,5-7,9H,3-4,8H2,(H,19,20)
InChIKeyGPIUOWSBQIELES-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid

2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid (PubChem CID 19625321) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
PubChem CID19625321
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(C2CC2)c2c(-c3cccs3)ccnc21
InChIInChI=1S/C15H13N3O2S/c19-12(20)8-18-15-13(14(17-18)9-3-4-9)10(5-6-16-15)11-2-1-7-21-11/h1-2,5-7,9H,3-4,8H2,(H,19,20)
InChIKeyGPIUOWSBQIELES-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid (CID 19625321) is 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid is O=C(O)Cn1nc(C2CC2)c2c(-c3cccs3)ccnc21.
What is the InChIKey of 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid?
The InChIKey is GPIUOWSBQIELES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-12(20)8-18-15-13(14(17-18)9-3-4-9)10(5-6-16-15)11-2-1-7-21-11/h1-2,5-7,9H,3-4,8H2,(H,19,20).
What are the key properties of 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid?
2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid has a molecular weight of 299.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 19625321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).