tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate

C23H36FN3O4Si — CID 144871019

IUPACtert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C#Cc2c(N)cncc2F)OCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H36FN3O4Si/c1-22(2,3)31-21(28)27-13-17(9-10-18-19(24)11-26-12-20(18)25)29-14-16(27)15-30-32(7,8)23(4,5)6/h11-12,16-17H,13-15,25H2,1-8H3
InChIKeyHQYWHPVNRYOVHP-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.18
Rot. Bonds3

About tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate

tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate (PubChem CID 144871019) has the molecular formula C23H36FN3O4Si and a molecular weight of 465.64 g/mol. Its IUPAC name is tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate
PubChem CID144871019
Molecular FormulaC23H36FN3O4Si
Molecular Weight465.64 g/mol
Exact Mass465.25
IUPAC Nametert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C#Cc2c(N)cncc2F)OCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H36FN3O4Si/c1-22(2,3)31-21(28)27-13-17(9-10-18-19(24)11-26-12-20(18)25)29-14-16(27)15-30-32(7,8)23(4,5)6/h11-12,16-17H,13-15,25H2,1-8H3
InChIKeyHQYWHPVNRYOVHP-UHFFFAOYSA-N
XLogP4.18
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-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

tert-butyl (6R,9S)-9-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate
CID 118366683
tert-butyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[3-[[(3S)-3-(3,5-difluorophenyl)-3-(4-fluorophenyl)propanoyl]amino]-5-fluoro-4-pyridinyl]ethyl]morpholine-4-carboxylate
CID 140746431
tert-butyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
CID 23631416
tert-butyl (2R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 178182927
tert-butyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 56595124
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(Z)-3,3,3-trifluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 145444558
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66733511
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 10852705
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 169084975
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,2-dimethylpropanoyloxymethyl)pyrrolidine-1-carboxylate
CID 68813626
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(113C)methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 10947872

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate (CID 144871019) is tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(C#Cc2c(N)cncc2F)OCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate?
The InChIKey is HQYWHPVNRYOVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O4Si/c1-22(2,3)31-21(28)27-13-17(9-10-18-19(24)11-26-12-20(18)25)29-14-16(27)15-30-32(7,8)23(4,5)6/h11-12,16-17H,13-15,25H2,1-8H3.
What are the key properties of tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate?
tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate has a molecular weight of 465.64 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(3-amino-5-fluoro-4-pyridinyl)ethynyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 144871019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).