7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C14H13N5O3 — CID 150459791

IUPAC7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cnn4ccccc34)C2)N1
InChIInChI=1S/C14H13N5O3/c20-11(9-7-15-19-5-2-1-3-10(9)19)18-6-4-14(8-18)12(21)16-13(22)17-14/h1-3,5,7H,4,6,8H2,(H2,16,17,21,22)
InChIKeyHPNZWSHWKWGFMA-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.24
Rot. Bonds1

About 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 150459791) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID150459791
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3cnn4ccccc34)C2)N1
InChIInChI=1S/C14H13N5O3/c20-11(9-7-15-19-5-2-1-3-10(9)19)18-6-4-14(8-18)12(21)16-13(22)17-14/h1-3,5,7H,4,6,8H2,(H2,16,17,21,22)
InChIKeyHPNZWSHWKWGFMA-UHFFFAOYSA-N
XLogP-0.24
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
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 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 150459791) is 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3cnn4ccccc34)C2)N1.
What is the InChIKey of 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HPNZWSHWKWGFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-11(9-7-15-19-5-2-1-3-10(9)19)18-6-4-14(8-18)12(21)16-13(22)17-14/h1-3,5,7H,4,6,8H2,(H2,16,17,21,22).
What are the key properties of 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 299.29 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 150459791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).