2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C30H34F3N5O2Si — CID 150617394

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 150617394) has the molecular formula C30H34F3N5O2Si and a molecular weight of 581.72 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 150617394
• Molecular Formula: C30H34F3N5O2Si
• Molecular Weight: 581.72 g/mol
• Exact Mass: 581.24
• IUPAC Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N1CCn2nc(CO[Si](C)(C)C(C)(C)C)c(C)c2C1=O
• InChI: InChI=1S/C30H34F3N5O2Si/c1-18-14-20(27-34-16-21-15-22(30(31,32)33)9-10-23(21)35-27)8-11-25(18)37-12-13-38-26(28(37)39)19(2)24(36-38)17-40-41(6,7)29(3,4)5/h8-11,14-16H,12-13,17H2,1-7H3
• InChIKey: IVEHNPVUNSQVEO-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.72
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 150617394) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N1CCn2nc(CO[Si](C)(C)C(C)(C)C)c(C)c2C1=O.

What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is IVEHNPVUNSQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N5O2Si/c1-18-14-20(27-34-16-21-15-22(30(31,32)33)9-10-23(21)35-27)8-11-25(18)37-12-13-38-26(28(37)39)19(2)24(36-38)17-40-41(6,7)29(3,4)5/h8-11,14-16H,12-13,17H2,1-7H3.

What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 581.72 g/mol, XLogP of 7.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 150617394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).