[4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate

C35H56N4O7Si — CID 86624609

IUPAC[4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate
SMILESCOCCCc1cn(COCC[Si](C)(C)C)c2ccc(C(OC(=O)COC)C(CC(N=[N+]=[N-])C3CC(C(C)C)C(=O)O3)C(C)C)cc12
InChIInChI=1S/C35H56N4O7Si/c1-23(2)27(18-30(37-38-36)32-19-28(24(3)4)35(41)45-32)34(46-33(40)21-43-6)25-12-13-31-29(17-25)26(11-10-14-42-5)20-39(31)22-44-15-16-47(7,8)9/h12-13,17,20,23-24,27-28,30,32,34H,10-11,14-16,18-19,21-22H2,1-9H3
InChIKeyVWPFLSWTYCZYSR-UHFFFAOYSA-N
MW672.94 g/mol
LogP7.69
Rot. Bonds20

About [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate

[4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate (PubChem CID 86624609) has the molecular formula C35H56N4O7Si and a molecular weight of 672.94 g/mol. Its IUPAC name is [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate.

Molecular Properties

Compound Name[4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate
PubChem CID86624609
Molecular FormulaC35H56N4O7Si
Molecular Weight672.94 g/mol
Exact Mass672.39
IUPAC Name[4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate
SMILESCOCCCc1cn(COCC[Si](C)(C)C)c2ccc(C(OC(=O)COC)C(CC(N=[N+]=[N-])C3CC(C(C)C)C(=O)O3)C(C)C)cc12
InChIInChI=1S/C35H56N4O7Si/c1-23(2)27(18-30(37-38-36)32-19-28(24(3)4)35(41)45-32)34(46-33(40)21-43-6)25-12-13-31-29(17-25)26(11-10-14-42-5)20-39(31)22-44-15-16-47(7,8)9/h12-13,17,20,23-24,27-28,30,32,34H,10-11,14-16,18-19,21-22H2,1-9H3
InChIKeyVWPFLSWTYCZYSR-UHFFFAOYSA-N
XLogP7.69
TPSA133.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.94
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate 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 [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate?
The IUPAC name of [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate (CID 86624609) is [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate.
What is the SMILES notation for [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate?
The canonical SMILES for [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate is COCCCc1cn(COCC[Si](C)(C)C)c2ccc(C(OC(=O)COC)C(CC(N=[N+]=[N-])C3CC(C(C)C)C(=O)O3)C(C)C)cc12.
What is the InChIKey of [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate?
The InChIKey is VWPFLSWTYCZYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56N4O7Si/c1-23(2)27(18-30(37-38-36)32-19-28(24(3)4)35(41)45-32)34(46-33(40)21-43-6)25-12-13-31-29(17-25)26(11-10-14-42-5)20-39(31)22-44-15-16-47(7,8)9/h12-13,17,20,23-24,27-28,30,32,34H,10-11,14-16,18-19,21-22H2,1-9H3.
What are the key properties of [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate?
[4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate has a molecular weight of 672.94 g/mol, XLogP of 7.69, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-azido-1-[3-(3-methoxypropyl)-1-(2-trimethylsilylethoxymethyl)indol-5-yl]-4-(5-oxo-4-propan-2-yloxolan-2-yl)-2-propan-2-ylbutyl] 2-methoxyacetate is sourced from PubChem (CID 86624609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).