tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate

C26H35N5O4 — CID 170432555

IUPACtert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(N3CCC4(CCCN(C(=O)OC(C)(C)C)C4)C3)c21
InChIInChI=1S/C26H35N5O4/c1-25(2,3)35-24(34)31-13-6-11-26(16-31)12-14-30(15-26)19-8-5-7-17-21(28-29(4)22(17)19)18-9-10-20(32)27-23(18)33/h5,7-8,18H,6,9-16H2,1-4H3,(H,27,32,33)
InChIKeyFCNCUDAUTUNJIR-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 170432555) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID170432555
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Nametert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(N3CCC4(CCCN(C(=O)OC(C)(C)C)C4)C3)c21
InChIInChI=1S/C26H35N5O4/c1-25(2,3)35-24(34)31-13-6-11-26(16-31)12-14-30(15-26)19-8-5-7-17-21(28-29(4)22(17)19)18-9-10-20(32)27-23(18)33/h5,7-8,18H,6,9-16H2,1-4H3,(H,27,32,33)
InChIKeyFCNCUDAUTUNJIR-UHFFFAOYSA-N
XLogP3.32
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 170432555) is tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate is Cn1nc(C2CCC(=O)NC2=O)c2cccc(N3CCC4(CCCN(C(=O)OC(C)(C)C)C4)C3)c21.
What is the InChIKey of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is FCNCUDAUTUNJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-25(2,3)35-24(34)31-13-6-11-26(16-31)12-14-30(15-26)19-8-5-7-17-21(28-29(4)22(17)19)18-9-10-20(32)27-23(18)33/h5,7-8,18H,6,9-16H2,1-4H3,(H,27,32,33).
What are the key properties of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 481.60 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 170432555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).