tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane

C30H37IN2O3Si — CID 162691503

IUPACtert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane
SMILESCC1(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(Oc2cc(I)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C30H37IN2O3Si/c1-29(2,3)37(25-11-7-5-8-12-25,26-13-9-6-10-14-26)36-30(4)21-24(22-30)35-28-20-23(31)19-27(32-28)33-15-17-34-18-16-33/h5-14,19-20,24H,15-18,21-22H2,1-4H3
InChIKeyHWKJPQJZALGJCA-UHFFFAOYSA-N
MW628.63 g/mol
LogP5.40
Rot. Bonds7

About tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane

tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane (PubChem CID 162691503) has the molecular formula C30H37IN2O3Si and a molecular weight of 628.63 g/mol. Its IUPAC name is tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane
PubChem CID162691503
Molecular FormulaC30H37IN2O3Si
Molecular Weight628.63 g/mol
Exact Mass628.16
IUPAC Nametert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane
SMILESCC1(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(Oc2cc(I)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C30H37IN2O3Si/c1-29(2,3)37(25-11-7-5-8-12-25,26-13-9-6-10-14-26)36-30(4)21-24(22-30)35-28-20-23(31)19-27(32-28)33-15-17-34-18-16-33/h5-14,19-20,24H,15-18,21-22H2,1-4H3
InChIKeyHWKJPQJZALGJCA-UHFFFAOYSA-N
XLogP5.40
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.63
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane 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

(2R)-2-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-1-ol
CID 155160945
(2S)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-2-ol
CID 155160455
4-[4-methyl-6-(1-methylazetidin-3-yl)oxy-2-pyridinyl]morpholine
CID 155160970
4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine
CID 170120523
4-(6-phenoxy-2-pyridinyl)morpholine
CID 18182377
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 22242819
N-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-2,2-dimethylpropanamide
CID 91465686
tert-butyl-[[3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-5-methyl-1,3-oxazolidin-4-yl]methoxy]-diphenylsilane
CID 123361401
4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
CID 159954649
(3S)-N-[3-[2-(3-hydroxy-3-methylcyclobutyl)oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160924
N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
CID 158649137
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane (CID 162691503) is tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane is CC1(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(Oc2cc(I)cc(N3CCOCC3)n2)C1.
What is the InChIKey of tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane?
The InChIKey is HWKJPQJZALGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37IN2O3Si/c1-29(2,3)37(25-11-7-5-8-12-25,26-13-9-6-10-14-26)36-30(4)21-24(22-30)35-28-20-23(31)19-27(32-28)33-15-17-34-18-16-33/h5-14,19-20,24H,15-18,21-22H2,1-4H3.
What are the key properties of tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane?
tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane has a molecular weight of 628.63 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]-1-methylcyclobutyl]oxy-diphenylsilane is sourced from PubChem (CID 162691503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).