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'}

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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).