7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione

C25H24N4O4 — CID 141025466

IUPAC7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCCc2c[nH]c3ccccc23)OC1=O
InChIInChI=1S/C25H24N4O4/c30-23-24(31)33-25(32-23)16-28(22-9-3-8-21-19(22)10-11-26-21)13-14-29(25)12-4-5-17-15-27-20-7-2-1-6-18(17)20/h1-3,6-11,15,26-27H,4-5,12-14,16H2
InChIKeyIZKUFCWPWUPTSC-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.16
Rot. Bonds5

About 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione

7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (PubChem CID 141025466) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.

Molecular Properties

Compound Name7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
PubChem CID141025466
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCCc2c[nH]c3ccccc23)OC1=O
InChIInChI=1S/C25H24N4O4/c30-23-24(31)33-25(32-23)16-28(22-9-3-8-21-19(22)10-11-26-21)13-14-29(25)12-4-5-17-15-27-20-7-2-1-6-18(17)20/h1-3,6-11,15,26-27H,4-5,12-14,16H2
InChIKeyIZKUFCWPWUPTSC-UHFFFAOYSA-N
XLogP3.16
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione 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 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The IUPAC name of 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (CID 141025466) is 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.
What is the SMILES notation for 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The canonical SMILES for 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is O=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCCc2c[nH]c3ccccc23)OC1=O.
What is the InChIKey of 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The InChIKey is IZKUFCWPWUPTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c30-23-24(31)33-25(32-23)16-28(22-9-3-8-21-19(22)10-11-26-21)13-14-29(25)12-4-5-17-15-27-20-7-2-1-6-18(17)20/h1-3,6-11,15,26-27H,4-5,12-14,16H2.
What are the key properties of 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione has a molecular weight of 444.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-4-yl)-10-[3-(1H-indol-3-yl)propyl]-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is sourced from PubChem (CID 141025466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).