1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione

C26H20N6O5 — CID 22379601

IUPAC1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4cc(-c5ccncc5)on4)cc3)nc2)C(=O)N1
InChIInChI=1S/C26H20N6O5/c33-23-26(24(34)30-25(35)29-23)10-1-13-32(26)18-4-7-22(28-15-18)36-19-5-2-16(3-6-19)20-14-21(37-31-20)17-8-11-27-12-9-17/h2-9,11-12,14-15H,1,10,13H2,(H2,29,30,33,34,35)
InChIKeyWHQQKTQSOUXYPT-UHFFFAOYSA-N
MW496.48 g/mol
LogP3.30
Rot. Bonds5

About 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione

1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione (PubChem CID 22379601) has the molecular formula C26H20N6O5 and a molecular weight of 496.48 g/mol. Its IUPAC name is 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
PubChem CID22379601
Molecular FormulaC26H20N6O5
Molecular Weight496.48 g/mol
Exact Mass496.15
IUPAC Name1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4cc(-c5ccncc5)on4)cc3)nc2)C(=O)N1
InChIInChI=1S/C26H20N6O5/c33-23-26(24(34)30-25(35)29-23)10-1-13-32(26)18-4-7-22(28-15-18)36-19-5-2-16(3-6-19)20-14-21(37-31-20)17-8-11-27-12-9-17/h2-9,11-12,14-15H,1,10,13H2,(H2,29,30,33,34,35)
InChIKeyWHQQKTQSOUXYPT-UHFFFAOYSA-N
XLogP3.30
TPSA139.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione 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 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione (CID 22379601) is 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione is O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4cc(-c5ccncc5)on4)cc3)nc2)C(=O)N1.
What is the InChIKey of 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is WHQQKTQSOUXYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O5/c33-23-26(24(34)30-25(35)29-23)10-1-13-32(26)18-4-7-22(28-15-18)36-19-5-2-16(3-6-19)20-14-21(37-31-20)17-8-11-27-12-9-17/h2-9,11-12,14-15H,1,10,13H2,(H2,29,30,33,34,35).
What are the key properties of 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione?
1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 496.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(5-pyridin-4-yl-1,2-oxazol-3-yl)phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 22379601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).