2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol

C36H40N4O2Si — CID 171085750

IUPAC2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2ccc3ncc(C4CCNCC4O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)nc3n2)c(O)c1
InChIInChI=1S/C36H40N4O2Si/c1-24-20-25(2)34(32(41)21-24)29-16-17-30-35(39-29)40-31(22-38-30)28-18-19-37-23-33(28)42-43(36(3,4)5,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-17,20-22,28,33,37,41H,18-19,23H2,1-5H3
InChIKeyDIKPVPNHTHQSLZ-UHFFFAOYSA-N
MW588.83 g/mol
LogP6.04
Rot. Bonds6

About 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol

2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol (PubChem CID 171085750) has the molecular formula C36H40N4O2Si and a molecular weight of 588.83 g/mol. Its IUPAC name is 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
PubChem CID171085750
Molecular FormulaC36H40N4O2Si
Molecular Weight588.83 g/mol
Exact Mass588.29
IUPAC Name2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2ccc3ncc(C4CCNCC4O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)nc3n2)c(O)c1
InChIInChI=1S/C36H40N4O2Si/c1-24-20-25(2)34(32(41)21-24)29-16-17-30-35(39-29)40-31(22-38-30)28-18-19-37-23-33(28)42-43(36(3,4)5,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-17,20-22,28,33,37,41H,18-19,23H2,1-5H3
InChIKeyDIKPVPNHTHQSLZ-UHFFFAOYSA-N
XLogP6.04
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.83
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol (CID 171085750) is 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2ccc3ncc(C4CCNCC4O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)nc3n2)c(O)c1.
What is the InChIKey of 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
The InChIKey is DIKPVPNHTHQSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N4O2Si/c1-24-20-25(2)34(32(41)21-24)29-16-17-30-35(39-29)40-31(22-38-30)28-18-19-37-23-33(28)42-43(36(3,4)5,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-17,20-22,28,33,37,41H,18-19,23H2,1-5H3.
What are the key properties of 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol?
2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol has a molecular weight of 588.83 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol is sourced from PubChem (CID 171085750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).