methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate

C27H30N2O4Si — CID 169233130

IUPACmethyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc2oc(C(C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2n1
InChIInChI=1S/C27H30N2O4Si/c1-19(24-16-22-25(33-24)28-17-23(29-22)26(30)31-5)18-32-34(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19H,18H2,1-5H3
InChIKeyPFSVJWQTWWQZHO-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.69
Rot. Bonds7

About methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate

methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate (PubChem CID 169233130) has the molecular formula C27H30N2O4Si and a molecular weight of 474.63 g/mol. Its IUPAC name is methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate
PubChem CID169233130
Molecular FormulaC27H30N2O4Si
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Namemethyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc2oc(C(C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2n1
InChIInChI=1S/C27H30N2O4Si/c1-19(24-16-22-25(33-24)28-17-23(29-22)26(30)31-5)18-32-34(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19H,18H2,1-5H3
InChIKeyPFSVJWQTWWQZHO-UHFFFAOYSA-N
XLogP4.69
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate
CID 10835513
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl 2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 101457357
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate (CID 169233130) is methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate is COC(=O)c1cnc2oc(C(C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2n1.
What is the InChIKey of methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate?
The InChIKey is PFSVJWQTWWQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4Si/c1-19(24-16-22-25(33-24)28-17-23(29-22)26(30)31-5)18-32-34(27(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19H,18H2,1-5H3.
What are the key properties of methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate?
methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate has a molecular weight of 474.63 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]furo[2,3-b]pyrazine-2-carboxylate is sourced from PubChem (CID 169233130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).