(2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride

C26H43ClN4O4Si — CID 154630004

IUPAC(2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride
SMILESCC1CCC([C@H](N)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3COCC[Si](C)(C)C)CC1.Cl
InChIInChI=1S/C26H42N4O4Si.ClH/c1-18-5-7-19(8-6-18)23(27)24(31)29-22-15-21-20(16-28-22)26(9-11-33-12-10-26)25(32)30(21)17-34-13-14-35(2,3)4;/h15-16,18-19,23H,5-14,17,27H2,1-4H3,(H,28,29,31);1H/t18?,19?,23-;/m0./s1
InChIKeyGJAWYEKZQSVLQO-ACXGOBSESA-N
MW539.19 g/mol
LogP4.30
Rot. Bonds8

About (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride

(2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride (PubChem CID 154630004) has the molecular formula C26H43ClN4O4Si and a molecular weight of 539.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride
PubChem CID154630004
Molecular FormulaC26H43ClN4O4Si
Molecular Weight539.19 g/mol
Exact Mass538.27
IUPAC Name(2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride
SMILESCC1CCC([C@H](N)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3COCC[Si](C)(C)C)CC1.Cl
InChIInChI=1S/C26H42N4O4Si.ClH/c1-18-5-7-19(8-6-18)23(27)24(31)29-22-15-21-20(16-28-22)26(9-11-33-12-10-26)25(32)30(21)17-34-13-14-35(2,3)4;/h15-16,18-19,23H,5-14,17,27H2,1-4H3,(H,28,29,31);1H/t18?,19?,23-;/m0./s1
InChIKeyGJAWYEKZQSVLQO-ACXGOBSESA-N
XLogP4.30
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.19
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride (CID 154630004) is (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride is CC1CCC([C@H](N)C(=O)Nc2cc3c(cn2)C2(CCOCC2)C(=O)N3COCC[Si](C)(C)C)CC1.Cl.
What is the InChIKey of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride?
The InChIKey is GJAWYEKZQSVLQO-ACXGOBSESA-N. The full InChI is InChI=1S/C26H42N4O4Si.ClH/c1-18-5-7-19(8-6-18)23(27)24(31)29-22-15-21-20(16-28-22)26(9-11-33-12-10-26)25(32)30(21)17-34-13-14-35(2,3)4;/h15-16,18-19,23H,5-14,17,27H2,1-4H3,(H,28,29,31);1H/t18?,19?,23-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride?
(2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride has a molecular weight of 539.19 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-methylcyclohexyl)-N-[2'-oxo-1'-(2-trimethylsilylethoxymethyl)spiro[oxane-4,3'-pyrrolo[3,2-c]pyridine]-6'-yl]acetamide;hydrochloride is sourced from PubChem (CID 154630004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).