2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane

C33H44N6O3SSi2 — CID 135718569

IUPAC2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c3CCCN4S(=O)(=O)CC[Si](C)(C)C)ccc21
InChIInChI=1S/C33H44N6O3SSi2/c1-44(2,3)18-16-42-23-38-30-14-13-24(20-26(30)32(37-38)33-35-28-11-7-8-12-29(28)36-33)27-21-34-22-31-25(27)10-9-15-39(31)43(40,41)17-19-45(4,5)6/h7-8,11-14,20-22H,9-10,15-19,23H2,1-6H3,(H,35,36)
InChIKeyGOYJOKZCBUHCNY-UHFFFAOYSA-N
MW660.99 g/mol
LogP7.37
Rot. Bonds11

About 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane

2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane (PubChem CID 135718569) has the molecular formula C33H44N6O3SSi2 and a molecular weight of 660.99 g/mol. Its IUPAC name is 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane
PubChem CID135718569
Molecular FormulaC33H44N6O3SSi2
Molecular Weight660.99 g/mol
Exact Mass660.27
IUPAC Name2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c3CCCN4S(=O)(=O)CC[Si](C)(C)C)ccc21
InChIInChI=1S/C33H44N6O3SSi2/c1-44(2,3)18-16-42-23-38-30-14-13-24(20-26(30)32(37-38)33-35-28-11-7-8-12-29(28)36-33)27-21-34-22-31-25(27)10-9-15-39(31)43(40,41)17-19-45(4,5)6/h7-8,11-14,20-22H,9-10,15-19,23H2,1-6H3,(H,35,36)
InChIKeyGOYJOKZCBUHCNY-UHFFFAOYSA-N
XLogP7.37
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.99
LogP ≤ 57.37
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 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane 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 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane (CID 135718569) is 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c3CCCN4S(=O)(=O)CC[Si](C)(C)C)ccc21.
What is the InChIKey of 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane?
The InChIKey is GOYJOKZCBUHCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O3SSi2/c1-44(2,3)18-16-42-23-38-30-14-13-24(20-26(30)32(37-38)33-35-28-11-7-8-12-29(28)36-33)27-21-34-22-31-25(27)10-9-15-39(31)43(40,41)17-19-45(4,5)6/h7-8,11-14,20-22H,9-10,15-19,23H2,1-6H3,(H,35,36).
What are the key properties of 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane?
2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane has a molecular weight of 660.99 g/mol, XLogP of 7.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]sulfonyl]ethyl-trimethylsilane is sourced from PubChem (CID 135718569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).