5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C33H37F3N4O4Si — CID 140792111

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc3)c2C1=O
InChIInChI=1S/C33H37F3N4O4Si/c1-32(2,3)45(4,5)43-21-20-39-18-19-40-30(31(39)41)28(29(38-40)25-14-16-37-17-15-25)24-8-12-26(13-9-24)42-22-23-6-10-27(11-7-23)44-33(34,35)36/h6-17H,18-22H2,1-5H3
InChIKeyOADIPDDSWCWGEV-UHFFFAOYSA-N
MW638.76 g/mol
LogP7.57
Rot. Bonds10

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 140792111) has the molecular formula C33H37F3N4O4Si and a molecular weight of 638.76 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID140792111
Molecular FormulaC33H37F3N4O4Si
Molecular Weight638.76 g/mol
Exact Mass638.25
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc3)c2C1=O
InChIInChI=1S/C33H37F3N4O4Si/c1-32(2,3)45(4,5)43-21-20-39-18-19-40-30(31(39)41)28(29(38-40)25-14-16-37-17-15-25)24-8-12-26(13-9-24)42-22-23-6-10-27(11-7-23)44-33(34,35)36/h6-17H,18-22H2,1-5H3
InChIKeyOADIPDDSWCWGEV-UHFFFAOYSA-N
XLogP7.57
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.76
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 140792111) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(C)(C)[Si](C)(C)OCCN1CCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(OC(F)(F)F)cc4)cc3)c2C1=O.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OADIPDDSWCWGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N4O4Si/c1-32(2,3)45(4,5)43-21-20-39-18-19-40-30(31(39)41)28(29(38-40)25-14-16-37-17-15-25)24-8-12-26(13-9-24)42-22-23-6-10-27(11-7-23)44-33(34,35)36/h6-17H,18-22H2,1-5H3.
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 638.76 g/mol, XLogP of 7.57, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 140792111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).