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

C24H26N4O7 — CID 22349435

IUPAC5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCCOCCn1ncc2cc(Oc3ccc(OC4(CCOC)C(=O)NC(=O)NC4=O)cc3)ccc21
InChIInChI=1S/C24H26N4O7/c1-3-33-13-11-28-20-9-8-19(14-16(20)15-25-28)34-17-4-6-18(7-5-17)35-24(10-12-32-2)21(29)26-23(31)27-22(24)30/h4-9,14-15H,3,10-13H2,1-2H3,(H2,26,27,29,30,31)
InChIKeyMJWBFCDEVPWFDW-UHFFFAOYSA-N
MW482.49 g/mol
LogP2.39
Rot. Bonds11

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

5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 22349435) has the molecular formula C24H26N4O7 and a molecular weight of 482.49 g/mol. Its IUPAC name is 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
PubChem CID22349435
Molecular FormulaC24H26N4O7
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
SMILESCCOCCn1ncc2cc(Oc3ccc(OC4(CCOC)C(=O)NC(=O)NC4=O)cc3)ccc21
InChIInChI=1S/C24H26N4O7/c1-3-33-13-11-28-20-9-8-19(14-16(20)15-25-28)34-17-4-6-18(7-5-17)35-24(10-12-32-2)21(29)26-23(31)27-22(24)30/h4-9,14-15H,3,10-13H2,1-2H3,(H2,26,27,29,30,31)
InChIKeyMJWBFCDEVPWFDW-UHFFFAOYSA-N
XLogP2.39
TPSA130.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione (CID 22349435) is 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione is CCOCCn1ncc2cc(Oc3ccc(OC4(CCOC)C(=O)NC(=O)NC4=O)cc3)ccc21.
What is the InChIKey of 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is MJWBFCDEVPWFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O7/c1-3-33-13-11-28-20-9-8-19(14-16(20)15-25-28)34-17-4-6-18(7-5-17)35-24(10-12-32-2)21(29)26-23(31)27-22(24)30/h4-9,14-15H,3,10-13H2,1-2H3,(H2,26,27,29,30,31).
What are the key properties of 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione?
5-[4-[1-(2-ethoxyethyl)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 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2-ethoxyethyl)indazol-5-yl]oxyphenoxy]-5-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 22349435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).