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

C23H21N5O4 — CID 141025475

IUPAC10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2[nH]nc3ccccc23)OC1=O
InChIInChI=1S/C23H21N5O4/c29-21-22(30)32-23(31-21)14-27(20-7-3-6-17-16(20)8-10-24-17)12-13-28(23)11-9-19-15-4-1-2-5-18(15)25-26-19/h1-8,10,24H,9,11-14H2,(H,25,26)
InChIKeyGSFGSRQYLJZZOE-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.16
Rot. Bonds4

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

10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (PubChem CID 141025475) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.

Molecular Properties

Compound Name10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
PubChem CID141025475
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
SMILESO=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2[nH]nc3ccccc23)OC1=O
InChIInChI=1S/C23H21N5O4/c29-21-22(30)32-23(31-21)14-27(20-7-3-6-17-16(20)8-10-24-17)12-13-28(23)11-9-19-15-4-1-2-5-18(15)25-26-19/h1-8,10,24H,9,11-14H2,(H,25,26)
InChIKeyGSFGSRQYLJZZOE-UHFFFAOYSA-N
XLogP2.16
TPSA103.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The IUPAC name of 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (CID 141025475) is 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione.
What is the SMILES notation for 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The canonical SMILES for 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is O=C1OC2(CN(c3cccc4[nH]ccc34)CCN2CCc2[nH]nc3ccccc23)OC1=O.
What is the InChIKey of 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
The InChIKey is GSFGSRQYLJZZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c29-21-22(30)32-23(31-21)14-27(20-7-3-6-17-16(20)8-10-24-17)12-13-28(23)11-9-19-15-4-1-2-5-18(15)25-26-19/h1-8,10,24H,9,11-14H2,(H,25,26).
What are the key properties of 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione has a molecular weight of 431.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione is sourced from PubChem (CID 141025475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).