7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one

C26H33N5O4Si — CID 90852154

About 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one

7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one (PubChem CID 90852154) has the molecular formula C26H33N5O4Si and a molecular weight of 507.67 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one.

Molecular Properties

• Compound Name: 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one
• PubChem CID: 90852154
• Molecular Formula: C26H33N5O4Si
• Molecular Weight: 507.67 g/mol
• Exact Mass: 507.23
• IUPAC Name: 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one
• SMILES: Cc1noc(C)c1Cn1cc(-n2c(O)c3n(c2=O)Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2C3)cn1
• InChI: InChI=1S/C26H33N5O4Si/c1-16-22(17(2)34-28-16)15-29-14-20(12-27-29)31-24(32)23-11-18-8-9-21(35-36(6,7)26(3,4)5)10-19(18)13-30(23)25(31)33/h8-10,12,14,32H,11,13,15H2,1-7H3
• InChIKey: QGCGLKXWXXGGAH-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 100.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.67
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?

The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one (CID 90852154) is 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one.

What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?

The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one is Cc1noc(C)c1Cn1cc(-n2c(O)c3n(c2=O)Cc2cc(O[Si](C)(C)C(C)(C)C)ccc2C3)cn1.

What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?

The InChIKey is QGCGLKXWXXGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4Si/c1-16-22(17(2)34-28-16)15-29-14-20(12-27-29)31-24(32)23-11-18-8-9-21(35-36(6,7)26(3,4)5)10-19(18)13-30(23)25(31)33/h8-10,12,14,32H,11,13,15H2,1-7H3.

What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one?

7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one has a molecular weight of 507.67 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-hydroxy-5,10-dihydroimidazo[1,5-b]isoquinolin-3-one is sourced from PubChem (CID 90852154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).