tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate

C27H37N5O4 — CID 170629792

IUPACtert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCC4(CC3)CCN(C(=O)OC(C)(C)C)C4)cc21
InChIInChI=1S/C27H37N5O4/c1-26(2,3)36-25(35)32-14-13-27(16-32)11-9-17(10-12-27)28-18-5-6-19-21(15-18)31(4)30-23(19)20-7-8-22(33)29-24(20)34/h5-6,15,17,20,28H,7-14,16H2,1-4H3,(H,29,33,34)
InChIKeyONIPKPBXJIWBMO-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 170629792) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID170629792
Molecular FormulaC27H37N5O4
Molecular Weight495.62 g/mol
Exact Mass495.28
IUPAC Nametert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCC4(CC3)CCN(C(=O)OC(C)(C)C)C4)cc21
InChIInChI=1S/C27H37N5O4/c1-26(2,3)36-25(35)32-14-13-27(16-32)11-9-17(10-12-27)28-18-5-6-19-21(15-18)31(4)30-23(19)20-7-8-22(33)29-24(20)34/h5-6,15,17,20,28H,7-14,16H2,1-4H3,(H,29,33,34)
InChIKeyONIPKPBXJIWBMO-UHFFFAOYSA-N
XLogP4.08
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
CID 170629691
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
CID 170321392
tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175984559
tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane
CID 178160748
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 170322178
3-[6-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylindazol-3-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 170313758
8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid
CID 170433167
(3R,4S)-4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 170313763
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
CID 178161503
tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 170432555
tert-butyl 3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 178161570
tert-butyl (2S,4S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 170617163

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate (CID 170629792) is tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate is Cn1nc(C2CCC(=O)NC2=O)c2ccc(NC3CCC4(CC3)CCN(C(=O)OC(C)(C)C)C4)cc21.
What is the InChIKey of tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is ONIPKPBXJIWBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-26(2,3)36-25(35)32-14-13-27(16-32)11-9-17(10-12-27)28-18-5-6-19-21(15-18)31(4)30-23(19)20-7-8-22(33)29-24(20)34/h5-6,15,17,20,28H,7-14,16H2,1-4H3,(H,29,33,34).
What are the key properties of tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 495.62 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 170629792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).