5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione

C24H26N4O7 — CID 22349449

IUPAC5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCOCCC1(Oc2ccc(Oc3ccc4c(cnn4CC(C)(C)O)c3)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C24H26N4O7/c1-23(2,32)14-28-19-9-8-18(12-15(19)13-25-28)34-16-4-6-17(7-5-16)35-24(10-11-33-3)20(29)26-22(31)27-21(24)30/h4-9,12-13,32H,10-11,14H2,1-3H3,(H2,26,27,29,30,31)
InChIKeyYANFZSAWAFMKAT-UHFFFAOYSA-N
MW482.49 g/mol
LogP2.12
Rot. Bonds9

About 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione

5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 22349449) has the molecular formula C24H26N4O7 and a molecular weight of 482.49 g/mol. Its IUPAC name is 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
PubChem CID22349449
Molecular FormulaC24H26N4O7
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCOCCC1(Oc2ccc(Oc3ccc4c(cnn4CC(C)(C)O)c3)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C24H26N4O7/c1-23(2,32)14-28-19-9-8-18(12-15(19)13-25-28)34-16-4-6-17(7-5-16)35-24(10-11-33-3)20(29)26-22(31)27-21(24)30/h4-9,12-13,32H,10-11,14H2,1-3H3,(H2,26,27,29,30,31)
InChIKeyYANFZSAWAFMKAT-UHFFFAOYSA-N
XLogP2.12
TPSA141.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione (CID 22349449) is 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione is COCCC1(Oc2ccc(Oc3ccc4c(cnn4CC(C)(C)O)c3)cc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YANFZSAWAFMKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O7/c1-23(2,32)14-28-19-9-8-18(12-15(19)13-25-28)34-16-4-6-17(7-5-16)35-24(10-11-33-3)20(29)26-22(31)27-21(24)30/h4-9,12-13,32H,10-11,14H2,1-3H3,(H2,26,27,29,30,31).
What are the key properties of 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 482.49 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 22349449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).