1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione

C26H23FN4O4 — CID 141025481

IUPAC1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
SMILESO=C1C=CC(=O)OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2c[nH]c3ccc(F)cc23)O1
InChIInChI=1S/C26H23FN4O4/c27-18-4-5-22-20(14-18)17(15-29-22)9-11-31-13-12-30(23-3-1-2-21-19(23)8-10-28-21)16-26(31)34-24(32)6-7-25(33)35-26/h1-8,10,14-15,28-29H,9,11-13,16H2
InChIKeyKZAZZLQILTTXKR-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione (PubChem CID 141025481) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione.

Molecular Properties

Compound Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
PubChem CID141025481
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione
SMILESO=C1C=CC(=O)OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2c[nH]c3ccc(F)cc23)O1
InChIInChI=1S/C26H23FN4O4/c27-18-4-5-22-20(14-18)17(15-29-22)9-11-31-13-12-30(23-3-1-2-21-19(23)8-10-28-21)16-26(31)34-24(32)6-7-25(33)35-26/h1-8,10,14-15,28-29H,9,11-13,16H2
InChIKeyKZAZZLQILTTXKR-UHFFFAOYSA-N
XLogP3.46
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The IUPAC name of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione (CID 141025481) is 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione.
What is the SMILES notation for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The canonical SMILES for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione is O=C1C=CC(=O)OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2c[nH]c3ccc(F)cc23)O1.
What is the InChIKey of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
The InChIKey is KZAZZLQILTTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c27-18-4-5-22-20(14-18)17(15-29-22)9-11-31-13-12-30(23-3-1-2-21-19(23)8-10-28-21)16-26(31)34-24(32)6-7-25(33)35-26/h1-8,10,14-15,28-29H,9,11-13,16H2.
What are the key properties of 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione?
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione has a molecular weight of 474.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(1H-indol-4-yl)-7,12-dioxa-1,4-diazaspiro[5.6]dodec-9-ene-8,11-dione is sourced from PubChem (CID 141025481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).