5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid

C17H27N3O4Si — CID 90037885

IUPAC5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1nc(C(=O)O)c2c1CC1(CCC(=O)N1)CC2
InChIInChI=1S/C17H27N3O4Si/c1-25(2,3)9-8-24-11-20-13-10-17(7-5-14(21)18-17)6-4-12(13)15(19-20)16(22)23/h4-11H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyLOSJBGQACACHEN-UHFFFAOYSA-N
MW365.51 g/mol
LogP2.03
Rot. Bonds6

About 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid

5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid (PubChem CID 90037885) has the molecular formula C17H27N3O4Si and a molecular weight of 365.51 g/mol. Its IUPAC name is 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid.

Molecular Properties

Compound Name5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid
PubChem CID90037885
Molecular FormulaC17H27N3O4Si
Molecular Weight365.51 g/mol
Exact Mass365.18
IUPAC Name5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid
SMILESC[Si](C)(C)CCOCn1nc(C(=O)O)c2c1CC1(CCC(=O)N1)CC2
InChIInChI=1S/C17H27N3O4Si/c1-25(2,3)9-8-24-11-20-13-10-17(7-5-14(21)18-17)6-4-12(13)15(19-20)16(22)23/h4-11H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyLOSJBGQACACHEN-UHFFFAOYSA-N
XLogP2.03
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclohexan-1-one;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 160835973
2-oxaspiro[3.5]nonan-7-one;1-(2-trimethylsilylethoxymethyl)spiro[6,7-dihydro-4H-indazole-5,3'-oxetane]-3-carboxylic acid
CID 161423434
5-(2-trimethylsilylethoxymethyl)-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxylic acid
CID 90037045
1-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 90037130
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
N-[1-(2-hydroxy-1-phenylethyl)pyrazol-4-yl]-6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxamide
CID 131742689
1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 158784388
6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
CID 162014645
6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-amine;N-[1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 158887953
1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxamide;2'-methyl-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,1'-cyclopentane]-3-carboxylic acid
CID 159232177
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-amine;N-[1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 160942325

Frequently Asked Questions

What is the IUPAC name of 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid?
The IUPAC name of 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid (CID 90037885) is 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid.
What is the SMILES notation for 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid?
The canonical SMILES for 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid is C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1CC1(CCC(=O)N1)CC2.
What is the InChIKey of 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid?
The InChIKey is LOSJBGQACACHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4Si/c1-25(2,3)9-8-24-11-20-13-10-17(7-5-14(21)18-17)6-4-12(13)15(19-20)16(22)23/h4-11H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid?
5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid has a molecular weight of 365.51 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-oxo-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,2'-pyrrolidine]-3-carboxylic acid is sourced from PubChem (CID 90037885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).