8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine

C37H50BrF3N8O2Si2 — CID 174144318

IUPAC8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12.CC(C)(C)[Si](C)(C)OCCNc1ncc(Br)c2nccnc12
InChIInChI=1S/C22H27F3N4OSi.C15H23BrN4OSi/c1-21(2,3)31(4,5)30-13-12-28-20-19-18(26-10-11-27-19)17(14-29-20)15-6-8-16(9-7-15)22(23,24)25;1-15(2,3)22(4,5)21-9-8-19-14-13-12(11(16)10-20-14)17-6-7-18-13/h6-11,14H,12-13H2,1-5H3,(H,28,29);6-7,10H,8-9H2,1-5H3,(H,19,20)
InChIKeyTZBYRNNRJLJLCK-UHFFFAOYSA-N
MW831.93 g/mol
LogP10.37
Rot. Bonds11

About 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine

8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 174144318) has the molecular formula C37H50BrF3N8O2Si2 and a molecular weight of 831.93 g/mol. Its IUPAC name is 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID174144318
Molecular FormulaC37H50BrF3N8O2Si2
Molecular Weight831.93 g/mol
Exact Mass830.27
IUPAC Name8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCC(C)(C)[Si](C)(C)OCCNc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12.CC(C)(C)[Si](C)(C)OCCNc1ncc(Br)c2nccnc12
InChIInChI=1S/C22H27F3N4OSi.C15H23BrN4OSi/c1-21(2,3)31(4,5)30-13-12-28-20-19-18(26-10-11-27-19)17(14-29-20)15-6-8-16(9-7-15)22(23,24)25;1-15(2,3)22(4,5)21-9-8-19-14-13-12(11(16)10-20-14)17-6-7-18-13/h6-11,14H,12-13H2,1-5H3,(H,28,29);6-7,10H,8-9H2,1-5H3,(H,19,20)
InChIKeyTZBYRNNRJLJLCK-UHFFFAOYSA-N
XLogP10.37
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.93
LogP ≤ 510.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine (CID 174144318) is 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine is CC(C)(C)[Si](C)(C)OCCNc1ncc(-c2ccc(C(F)(F)F)cc2)c2nccnc12.CC(C)(C)[Si](C)(C)OCCNc1ncc(Br)c2nccnc12.
What is the InChIKey of 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is TZBYRNNRJLJLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4OSi.C15H23BrN4OSi/c1-21(2,3)31(4,5)30-13-12-28-20-19-18(26-10-11-27-19)17(14-29-20)15-6-8-16(9-7-15)22(23,24)25;1-15(2,3)22(4,5)21-9-8-19-14-13-12(11(16)10-20-14)17-6-7-18-13/h6-11,14H,12-13H2,1-5H3,(H,28,29);6-7,10H,8-9H2,1-5H3,(H,19,20).
What are the key properties of 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 831.93 g/mol, XLogP of 10.37, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrido[3,4-b]pyrazin-5-amine;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 174144318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).