[(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane

C30H36N4O4SSi — CID 66822822

IUPAC[(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCSc1ncnc2c(C3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4OC(C)(C)O[C@@H]34)cnn12
InChIInChI=1S/C30H36N4O4SSi/c1-29(2,3)40(20-13-9-7-10-14-20,21-15-11-8-12-16-21)35-18-23-25-26(38-30(4,5)37-25)24(36-23)22-17-33-34-27(22)31-19-32-28(34)39-6/h7-17,19,23-26H,18H2,1-6H3/t23-,24?,25-,26+/m1/s1
InChIKeyJOWBCBURRBZMTF-TZZBBBQFSA-N
MW576.80 g/mol
LogP4.38
Rot. Bonds7

About [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane

[(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 66822822) has the molecular formula C30H36N4O4SSi and a molecular weight of 576.80 g/mol. Its IUPAC name is [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID66822822
Molecular FormulaC30H36N4O4SSi
Molecular Weight576.80 g/mol
Exact Mass576.22
IUPAC Name[(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
SMILESCSc1ncnc2c(C3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4OC(C)(C)O[C@@H]34)cnn12
InChIInChI=1S/C30H36N4O4SSi/c1-29(2,3)40(20-13-9-7-10-14-20,21-15-11-8-12-16-21)35-18-23-25-26(38-30(4,5)37-25)24(36-23)22-17-33-34-27(22)31-19-32-28(34)39-6/h7-17,19,23-26H,18H2,1-6H3/t23-,24?,25-,26+/m1/s1
InChIKeyJOWBCBURRBZMTF-TZZBBBQFSA-N
XLogP4.38
TPSA80.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane (CID 66822822) is [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane is CSc1ncnc2c(C3O[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@H]4OC(C)(C)O[C@@H]34)cnn12.
What is the InChIKey of [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is JOWBCBURRBZMTF-TZZBBBQFSA-N. The full InChI is InChI=1S/C30H36N4O4SSi/c1-29(2,3)40(20-13-9-7-10-14-20,21-15-11-8-12-16-21)35-18-23-25-26(38-30(4,5)37-25)24(36-23)22-17-33-34-27(22)31-19-32-28(34)39-6/h7-17,19,23-26H,18H2,1-6H3/t23-,24?,25-,26+/m1/s1.
What are the key properties of [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane?
[(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 576.80 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6R,6aR)-2,2-dimethyl-4-(4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-8-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 66822822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).