10-[2-(6-chloro-2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione

C23H20ClN5O4 — CID 141025479

IUPAC10-[2-(6-chloro-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]nc3cc(Cl)ccc23)OC1=O
InChIInChI=1S/C23H20ClN5O4/c24-14-4-5-15-18(26-27-19(15)12-14)7-9-29-11-10-28(13-23(29)32-21(30)22(31)33-23)20-3-1-2-17-16(20)6-8-25-17/h1-6,8,12,25H,7,9-11,13H2,(H,26,27)
InChIKeyGMLVMIWACLFODU-UHFFFAOYSA-N
MW465.90 g/mol
LogP2.82
Rot. Bonds4

About 10-[2-(6-chloro-2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione

10-[2-(6-chloro-2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (PubChem CID 141025479) has the molecular formula C23H20ClN5O4 and a molecular weight of 465.90 g/mol. Its IUPAC name is 10-[2-(6-chloro-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-(6-chloro-2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione
PubChem CID141025479
Molecular FormulaC23H20ClN5O4
Molecular Weight465.90 g/mol
Exact Mass465.12
IUPAC Name10-[2-(6-chloro-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]nc3cc(Cl)ccc23)OC1=O
InChIInChI=1S/C23H20ClN5O4/c24-14-4-5-15-18(26-27-19(15)12-14)7-9-29-11-10-28(13-23(29)32-21(30)22(31)33-23)20-3-1-2-17-16(20)6-8-25-17/h1-6,8,12,25H,7,9-11,13H2,(H,26,27)
InChIKeyGMLVMIWACLFODU-UHFFFAOYSA-N
XLogP2.82
TPSA103.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-[2-(6-chloro-2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(6-chloro-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-(6-chloro-2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione (CID 141025479) is 10-[2-(6-chloro-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-(6-chloro-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-(6-chloro-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]nc3cc(Cl)ccc23)OC1=O.
What is the InChIKey of 10-[2-(6-chloro-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 GMLVMIWACLFODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4/c24-14-4-5-15-18(26-27-19(15)12-14)7-9-29-11-10-28(13-23(29)32-21(30)22(31)33-23)20-3-1-2-17-16(20)6-8-25-17/h1-6,8,12,25H,7,9-11,13H2,(H,26,27).
What are the key properties of 10-[2-(6-chloro-2H-indazol-3-yl)ethyl]-7-(1H-indol-4-yl)-1,4-dioxa-7,10-diazaspiro[4.5]decane-2,3-dione?
10-[2-(6-chloro-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 465.90 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(6-chloro-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 141025479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).