1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

C28H36N6O3Si — CID 167321952

About 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide

1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (PubChem CID 167321952) has the molecular formula C28H36N6O3Si and a molecular weight of 532.72 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
• PubChem CID: 167321952
• Molecular Formula: C28H36N6O3Si
• Molecular Weight: 532.72 g/mol
• Exact Mass: 532.26
• IUPAC Name: 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide
• SMILES: Cn1ncc2cc(C(=O)Nc3cc4c(cn3)cc(CN3CC5(COC5)C3)n4COCC[Si](C)(C)C)ccc21
• InChI: InChI=1S/C28H36N6O3Si/c1-32-24-6-5-20(9-21(24)13-30-32)27(35)31-26-11-25-22(12-29-26)10-23(14-33-15-28(16-33)17-37-18-28)34(25)19-36-7-8-38(2,3)4/h5-6,9-13H,7-8,14-19H2,1-4H3,(H,29,31,35)
• InChIKey: UVZOTBFUDSKFAV-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 86.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.72
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?

The IUPAC name of 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide (CID 167321952) is 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide.

What is the SMILES notation for 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?

The canonical SMILES for 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is Cn1ncc2cc(C(=O)Nc3cc4c(cn3)cc(CN3CC5(COC5)C3)n4COCC[Si](C)(C)C)ccc21.

What is the InChIKey of 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?

The InChIKey is UVZOTBFUDSKFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O3Si/c1-32-24-6-5-20(9-21(24)13-30-32)27(35)31-26-11-25-22(12-29-26)10-23(14-33-15-28(16-33)17-37-18-28)34(25)19-36-7-8-38(2,3)4/h5-6,9-13H,7-8,14-19H2,1-4H3,(H,29,31,35).

What are the key properties of 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide?

1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide has a molecular weight of 532.72 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]indazole-5-carboxamide is sourced from PubChem (CID 167321952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).