1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C23H33ClN6O3Si — CID 123564700

About 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 123564700) has the molecular formula C23H33ClN6O3Si and a molecular weight of 505.10 g/mol. Its IUPAC name is 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

• Compound Name: 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
• PubChem CID: 123564700
• Molecular Formula: C23H33ClN6O3Si
• Molecular Weight: 505.10 g/mol
• Exact Mass: 504.21
• IUPAC Name: 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
• SMILES: CC(C)(C)[Si](C)(C)OCCN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12
• InChI: InChI=1S/C23H33ClN6O3Si/c1-22(2,3)34(4,5)33-13-12-29-10-7-23(8-11-29)28-20(31)19-16(24)14-17(21(32)30(19)23)27-18-6-9-25-15-26-18/h6,9,14-15H,7-8,10-13H2,1-5H3,(H,28,31)(H,25,26,27)
• InChIKey: UUNAQVROHMBKNZ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.10
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?

The IUPAC name of 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 123564700) is 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

What is the SMILES notation for 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?

The canonical SMILES for 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is CC(C)(C)[Si](C)(C)OCCN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12.

What is the InChIKey of 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?

The InChIKey is UUNAQVROHMBKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN6O3Si/c1-22(2,3)34(4,5)33-13-12-29-10-7-23(8-11-29)28-20(31)19-16(24)14-17(21(32)30(19)23)27-18-6-9-25-15-26-18/h6,9,14-15H,7-8,10-13H2,1-5H3,(H,28,31)(H,25,26,27).

What are the key properties of 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?

1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 505.10 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 123564700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).