2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide

C12H12N6O3 — CID 138385422

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1[nH]nc2ncccc12
InChIInChI=1S/C12H12N6O3/c19-9(6-18-10(20)5-15-12(18)21)14-4-8-7-2-1-3-13-11(7)17-16-8/h1-3H,4-6H2,(H,14,19)(H,15,21)(H,13,16,17)
InChIKeyNMWGOJAZMOBBLM-UHFFFAOYSA-N
MW288.27 g/mol
LogP-0.87
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide (PubChem CID 138385422) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
PubChem CID138385422
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1[nH]nc2ncccc12
InChIInChI=1S/C12H12N6O3/c19-9(6-18-10(20)5-15-12(18)21)14-4-8-7-2-1-3-13-11(7)17-16-8/h1-3H,4-6H2,(H,14,19)(H,15,21)(H,13,16,17)
InChIKeyNMWGOJAZMOBBLM-UHFFFAOYSA-N
XLogP-0.87
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide (CID 138385422) is 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide is O=C(CN1C(=O)CNC1=O)NCc1[nH]nc2ncccc12.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
The InChIKey is NMWGOJAZMOBBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c19-9(6-18-10(20)5-15-12(18)21)14-4-8-7-2-1-3-13-11(7)17-16-8/h1-3H,4-6H2,(H,14,19)(H,15,21)(H,13,16,17).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide has a molecular weight of 288.27 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 138385422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).