2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid

C9H8N4O3 — CID 71009624

IUPAC2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
SMILESNC(=O)c1nn(CC(=O)O)c2ncccc12
InChIInChI=1S/C9H8N4O3/c10-8(16)7-5-2-1-3-11-9(5)13(12-7)4-6(14)15/h1-3H,4H2,(H2,10,16)(H,14,15)
InChIKeyHSTWHFOJWKFLKO-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.39
Rot. Bonds3

About 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid

2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid (PubChem CID 71009624) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
PubChem CID71009624
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
SMILESNC(=O)c1nn(CC(=O)O)c2ncccc12
InChIInChI=1S/C9H8N4O3/c10-8(16)7-5-2-1-3-11-9(5)13(12-7)4-6(14)15/h1-3H,4H2,(H2,10,16)(H,14,15)
InChIKeyHSTWHFOJWKFLKO-UHFFFAOYSA-N
XLogP-0.39
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid (CID 71009624) is 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid is NC(=O)c1nn(CC(=O)O)c2ncccc12.
What is the InChIKey of 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid?
The InChIKey is HSTWHFOJWKFLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-8(16)7-5-2-1-3-11-9(5)13(12-7)4-6(14)15/h1-3H,4H2,(H2,10,16)(H,14,15).
What are the key properties of 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid?
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid has a molecular weight of 220.19 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 71009624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).