N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide

C64H52N14O3Si — CID 157357272

About N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide

N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide (PubChem CID 157357272) has the molecular formula C64H52N14O3Si and a molecular weight of 1093.30 g/mol. Its IUPAC name is N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide
• PubChem CID: 157357272
• Molecular Formula: C64H52N14O3Si
• Molecular Weight: 1093.30 g/mol
• Exact Mass: 1092.41
• IUPAC Name: N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide
• SMILES: C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c(NC(=O)c5cccnc5)cccc34)ccc21.O=C(Nc1cccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc12)c1cccnc1
• InChI: InChI=1S/C35H33N7O2Si.C29H19N7O/c1-45(2,3)17-16-44-22-42-32-14-13-23(18-26(32)33(41-42)34-38-30-10-4-5-11-31(30)39-34)27-20-37-21-28-25(27)9-6-12-29(28)40-35(43)24-8-7-15-36-19-24;37-29(18-5-4-12-30-14-18)34-23-9-3-6-19-21(15-31-16-22(19)23)17-10-11-24-20(13-17)27(36-35-24)28-32-25-7-1-2-8-26(25)33-28/h4-15,18-21H,16-17,22H2,1-3H3,(H,38,39)(H,40,43);1-16H,(H,32,33)(H,34,37)(H,35,36)
• InChIKey: BIFTUJRHBFOWJU-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 222.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.30
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

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 N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide (CID 157357272) is N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide is C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(-c3cncc4c(NC(=O)c5cccnc5)cccc34)ccc21.O=C(Nc1cccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc12)c1cccnc1.

What is the InChIKey of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?

The InChIKey is BIFTUJRHBFOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O2Si.C29H19N7O/c1-45(2,3)17-16-44-22-42-32-14-13-23(18-26(32)33(41-42)34-38-30-10-4-5-11-31(30)39-34)27-20-37-21-28-25(27)9-6-12-29(28)40-35(43)24-8-7-15-36-19-24;37-29(18-5-4-12-30-14-18)34-23-9-3-6-19-21(15-31-16-22(19)23)17-10-11-24-20(13-17)27(36-35-24)28-32-25-7-1-2-8-26(25)33-28/h4-15,18-21H,16-17,22H2,1-3H3,(H,38,39)(H,40,43);1-16H,(H,32,33)(H,34,37)(H,35,36).

What are the key properties of N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide?

N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide has a molecular weight of 1093.30 g/mol, XLogP of 13.72, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide;N-[4-[3-(1H-benzimidazol-2-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157357272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).