5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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

C55H62N12O3SSi2 — CID 158779967

About 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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

5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 158779967) has the molecular formula C55H62N12O3SSi2 and a molecular weight of 1027.42 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 Name: 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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: 158779967
• Molecular Formula: C55H62N12O3SSi2
• Molecular Weight: 1027.42 g/mol
• Exact Mass: 1026.43
• IUPAC Name: 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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
• SMILES: C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c3CCCN4S(=O)(=O)CC[Si](C)(C)C)ccc21.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6c5CCCN6)cc34)nc2c1
• InChI: InChI=1S/C33H44N6O3SSi2.C22H18N6/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;1-2-6-19-18(5-1)25-22(26-19)21-15-10-13(7-8-17(15)27-28-21)16-11-23-12-20-14(16)4-3-9-24-20/h7-8,11-14,20-22H,9-10,15-19,23H2,1-6H3,(H,35,36);1-2,5-8,10-12,24H,3-4,9H2,(H,25,26)(H,27,28)
• InChIKey: IQYHHWPTESTWEF-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 188.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1027.42
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 158779967) is 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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.c1ccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6c5CCCN6)cc34)nc2c1.

What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 IQYHHWPTESTWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O3SSi2.C22H18N6/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;1-2-6-19-18(5-1)25-22(26-19)21-15-10-13(7-8-17(15)27-28-21)16-11-23-12-20-14(16)4-3-9-24-20/h7-8,11-14,20-22H,9-10,15-19,23H2,1-6H3,(H,35,36);1-2,5-8,10-12,24H,3-4,9H2,(H,25,26)(H,27,28).

What are the key properties of 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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?

5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 1027.42 g/mol, XLogP of 11.90, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;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 158779967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).