N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide

C32H45N7O3Si — CID 162452415

About N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide

N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide (PubChem CID 162452415) has the molecular formula C32H45N7O3Si and a molecular weight of 603.84 g/mol. Its IUPAC name is N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

• Compound Name: N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide
• PubChem CID: 162452415
• Molecular Formula: C32H45N7O3Si
• Molecular Weight: 603.84 g/mol
• Exact Mass: 603.34
• IUPAC Name: N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide
• SMILES: CC(C(=O)N(C)c1cc2nc(-c3nn(COCC[Si](C)(C)C)c4c3C[C@@H]3C[C@]3(C)C4)n(C)c2cc1C#N)N1CCOCC1
• InChI: InChI=1S/C32H45N7O3Si/c1-21(38-8-10-41-11-9-38)31(40)37(4)26-16-25-27(14-22(26)19-33)36(3)30(34-25)29-24-15-23-17-32(23,2)18-28(24)39(35-29)20-42-12-13-43(5,6)7/h14,16,21,23H,8-13,15,17-18,20H2,1-7H3/t21?,23-,32-/m1/s1
• InChIKey: MUVOZBMGKNZMQP-RIKLNCHNSA-N
• XLogP: 4.43
• TPSA: 101.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.84
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?

The IUPAC name of N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide (CID 162452415) is N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide.

What is the SMILES notation for N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?

The canonical SMILES for N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide is CC(C(=O)N(C)c1cc2nc(-c3nn(COCC[Si](C)(C)C)c4c3C[C@@H]3C[C@]3(C)C4)n(C)c2cc1C#N)N1CCOCC1.

What is the InChIKey of N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?

The InChIKey is MUVOZBMGKNZMQP-RIKLNCHNSA-N. The full InChI is InChI=1S/C32H45N7O3Si/c1-21(38-8-10-41-11-9-38)31(40)37(4)26-16-25-27(14-22(26)19-33)36(3)30(34-25)29-24-15-23-17-32(23,2)18-28(24)39(35-29)20-42-12-13-43(5,6)7/h14,16,21,23H,8-13,15,17-18,20H2,1-7H3/t21?,23-,32-/m1/s1.

What are the key properties of N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?

N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 603.84 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4aS,5aR)-5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,4a,5,6-tetrahydrocyclopropa[f]indazol-3-yl]-6-cyano-1-methylbenzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 162452415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).