10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one

C20H30N4O4SSi — CID 175805446

IUPAC10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one
SMILESCOCC1CN2CCOc3c(-c4cn[nH]c4)sc(c32)C(=O)N1COCC[Si](C)(C)C
InChIInChI=1S/C20H30N4O4SSi/c1-26-12-15-11-23-5-6-28-17-16(23)19(29-18(17)14-9-21-22-10-14)20(25)24(15)13-27-7-8-30(2,3)4/h9-10,15H,5-8,11-13H2,1-4H3,(H,21,22)
InChIKeyVWLJXHMVDNNNCN-UHFFFAOYSA-N
MW450.64 g/mol
LogP3.12
Rot. Bonds8

About 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one

10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one (PubChem CID 175805446) has the molecular formula C20H30N4O4SSi and a molecular weight of 450.64 g/mol. Its IUPAC name is 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one.

Molecular Properties

Compound Name10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one
PubChem CID175805446
Molecular FormulaC20H30N4O4SSi
Molecular Weight450.64 g/mol
Exact Mass450.18
IUPAC Name10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one
SMILESCOCC1CN2CCOc3c(-c4cn[nH]c4)sc(c32)C(=O)N1COCC[Si](C)(C)C
InChIInChI=1S/C20H30N4O4SSi/c1-26-12-15-11-23-5-6-28-17-16(23)19(29-18(17)14-9-21-22-10-14)20(25)24(15)13-27-7-8-30(2,3)4/h9-10,15H,5-8,11-13H2,1-4H3,(H,21,22)
InChIKeyVWLJXHMVDNNNCN-UHFFFAOYSA-N
XLogP3.12
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.64
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one 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 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one?
The IUPAC name of 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one (CID 175805446) is 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one.
What is the SMILES notation for 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one?
The canonical SMILES for 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one is COCC1CN2CCOc3c(-c4cn[nH]c4)sc(c32)C(=O)N1COCC[Si](C)(C)C.
What is the InChIKey of 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one?
The InChIKey is VWLJXHMVDNNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4SSi/c1-26-12-15-11-23-5-6-28-17-16(23)19(29-18(17)14-9-21-22-10-14)20(25)24(15)13-27-7-8-30(2,3)4/h9-10,15H,5-8,11-13H2,1-4H3,(H,21,22).
What are the key properties of 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one?
10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one has a molecular weight of 450.64 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(methoxymethyl)-3-(1H-pyrazol-4-yl)-11-(2-trimethylsilylethoxymethyl)-5-oxa-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one is sourced from PubChem (CID 175805446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).