5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione

C12H8N4O2 — CID 70312486

IUPAC5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#Cc2cnn3ccccc23)N1
InChIInChI=1S/C12H8N4O2/c17-11-9(14-12(18)15-11)5-4-8-7-13-16-6-2-1-3-10(8)16/h1-3,6-7,9H,(H2,14,15,17,18)
InChIKeyQVGNRBPHGWKRCR-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.11
Rot. Bonds

About 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione

5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione (PubChem CID 70312486) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione
PubChem CID70312486
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(C#Cc2cnn3ccccc23)N1
InChIInChI=1S/C12H8N4O2/c17-11-9(14-12(18)15-11)5-4-8-7-13-16-6-2-1-3-10(8)16/h1-3,6-7,9H,(H2,14,15,17,18)
InChIKeyQVGNRBPHGWKRCR-UHFFFAOYSA-N
XLogP-0.11
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309885
N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56673644
1-[3,3-dimethyl-6-(pyrazol-1-ylmethyl)-2H-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2S,5R)-2-ethyl-5-methylpiperazin-1-yl]ethanone
CID 90232109
US11584748, Example 67
CID 146189672
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309715
N-cyclopentyl-N'-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
CID 56911722
US11623929, Example 4
CID 150459791
US11802122, Example 80A
CID 162509780
US20230312528, Example 80A
CID 162520803
US20230312528, Example 80B
CID 162520823
1-[(6-Methyl-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 53505364
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53627187

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione (CID 70312486) is 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione is O=C1NC(=O)C(C#Cc2cnn3ccccc23)N1.
What is the InChIKey of 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione?
The InChIKey is QVGNRBPHGWKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-11-9(14-12(18)15-11)5-4-8-7-13-16-6-2-1-3-10(8)16/h1-3,6-7,9H,(H2,14,15,17,18).
What are the key properties of 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione?
5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione has a molecular weight of 240.22 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70312486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).