8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid

C23H29N5O4 — CID 170433167

IUPAC8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(NC3CCC4(CC3)CCN(C(=O)O)C4)c21
InChIInChI=1S/C23H29N5O4/c1-27-20-15(19(26-27)16-5-6-18(29)25-21(16)30)3-2-4-17(20)24-14-7-9-23(10-8-14)11-12-28(13-23)22(31)32/h2-4,14,16,24H,5-13H2,1H3,(H,31,32)(H,25,29,30)
InChIKeyOFFMUIYDVGQMDR-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.82
Rot. Bonds3

About 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid

8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 170433167) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID170433167
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(NC3CCC4(CC3)CCN(C(=O)O)C4)c21
InChIInChI=1S/C23H29N5O4/c1-27-20-15(19(26-27)16-5-6-18(29)25-21(16)30)3-2-4-17(20)24-14-7-9-23(10-8-14)11-12-28(13-23)22(31)32/h2-4,14,16,24H,5-13H2,1H3,(H,31,32)(H,25,29,30)
InChIKeyOFFMUIYDVGQMDR-UHFFFAOYSA-N
XLogP2.82
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid
CID 170321009
tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 170629792
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
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 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperazine-1-carboxylate
CID 170321259
3-[1-methyl-7-[[(2S)-pyrrolidin-2-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629913
3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629752
tert-butyl 8-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 170433468
tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperidin-4-yl]propan-2-yl]piperazine-1-carboxylate
CID 170432573
tert-butyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]pyrrolidin-3-yl]piperazine-1-carboxylate
CID 170433212
3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 175963231
3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
CID 170027641

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid (CID 170433167) is 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid is Cn1nc(C2CCC(=O)NC2=O)c2cccc(NC3CCC4(CC3)CCN(C(=O)O)C4)c21.
What is the InChIKey of 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is OFFMUIYDVGQMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-27-20-15(19(26-27)16-5-6-18(29)25-21(16)30)3-2-4-17(20)24-14-7-9-23(10-8-14)11-12-28(13-23)22(31)32/h2-4,14,16,24H,5-13H2,1H3,(H,31,32)(H,25,29,30).
What are the key properties of 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid?
8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 439.52 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 170433167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).