[4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate

C15H12N4O3 — CID 59805746

IUPAC[4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cc(C(N)=O)nc3[nH]ncc23)cc1
InChIInChI=1S/C15H12N4O3/c1-8(20)22-10-4-2-9(3-5-10)11-6-13(14(16)21)18-15-12(11)7-17-19-15/h2-7H,1H3,(H2,16,21)(H,17,18,19)
InChIKeyVJWVKSGUXPCTGS-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.65
Rot. Bonds3

About [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate

[4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate (PubChem CID 59805746) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate
PubChem CID59805746
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name[4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cc(C(N)=O)nc3[nH]ncc23)cc1
InChIInChI=1S/C15H12N4O3/c1-8(20)22-10-4-2-9(3-5-10)11-6-13(14(16)21)18-15-12(11)7-17-19-15/h2-7H,1H3,(H2,16,21)(H,17,18,19)
InChIKeyVJWVKSGUXPCTGS-UHFFFAOYSA-N
XLogP1.65
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate?
The IUPAC name of [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate (CID 59805746) is [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate.
What is the SMILES notation for [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate?
The canonical SMILES for [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate is CC(=O)Oc1ccc(-c2cc(C(N)=O)nc3[nH]ncc23)cc1.
What is the InChIKey of [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate?
The InChIKey is VJWVKSGUXPCTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-8(20)22-10-4-2-9(3-5-10)11-6-13(14(16)21)18-15-12(11)7-17-19-15/h2-7H,1H3,(H2,16,21)(H,17,18,19).
What are the key properties of [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate?
[4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate has a molecular weight of 296.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-carbamoyl-1H-pyrazolo[5,4-b]pyridin-4-yl)phenyl] acetate is sourced from PubChem (CID 59805746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).