tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane

C17H26ClN3O2Si — CID 14680648

IUPACtert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](n2cnc3ccnc(Cl)c32)O1
InChIInChI=1S/C17H26ClN3O2Si/c1-17(2,3)24(4,5)22-10-12-6-7-14(23-12)21-11-20-13-8-9-19-16(18)15(13)21/h8-9,11-12,14H,6-7,10H2,1-5H3/t12-,14-/m0/s1
InChIKeyAYNPSPNXKRBKJT-JSGCOSHPSA-N
MW367.95 g/mol
LogP4.78
Rot. Bonds4

About tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane (PubChem CID 14680648) has the molecular formula C17H26ClN3O2Si and a molecular weight of 367.95 g/mol. Its IUPAC name is tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane
PubChem CID14680648
Molecular FormulaC17H26ClN3O2Si
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Nametert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](n2cnc3ccnc(Cl)c32)O1
InChIInChI=1S/C17H26ClN3O2Si/c1-17(2,3)24(4,5)22-10-12-6-7-14(23-12)21-11-20-13-8-9-19-16(18)15(13)21/h8-9,11-12,14H,6-7,10H2,1-5H3/t12-,14-/m0/s1
InChIKeyAYNPSPNXKRBKJT-JSGCOSHPSA-N
XLogP4.78
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine
CID 11101039
ethyl 1-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-cyanopyrrole-2-carboxylate
CID 10738453
tert-butyl-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4-chloropyrrolo[3,2-c]pyridin-1-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 140731389
tert-butyl-[[(1R,2S,4S,5S)-4-(6-chloropurin-7-yl)-5-fluoro-3-oxabicyclo[3.2.0]heptan-2-yl]methoxy]-dimethylsilane
CID 53376197
6-chloro-9-[5-(methoxymethyl)oxolan-2-yl]purine-2-carbonitrile
CID 142057191
tert-butyl-[[(3S)-1-[[2-chloro-3-(dimethoxymethyl)-4-pyridinyl]methyl]pyrrolidin-3-yl]methoxy]-dimethylsilane
CID 99768765
tert-butyl-dimethyl-[[(2S,5R)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 102383882
tert-butyl-[[(2S)-6-ethoxyoxan-2-yl]methoxy]-dimethylsilane
CID 139257646
[(2S,5R)-5-(4-methylimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 67781518
tert-butyl-dimethyl-[[(2R,5R)-5-prop-2-enyloxolan-2-yl]methoxy]silane
CID 71665104
2-[(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]acetaldehyde
CID 162717514
tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane
CID 102251588

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane (CID 14680648) is tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](n2cnc3ccnc(Cl)c32)O1.
What is the InChIKey of tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane?
The InChIKey is AYNPSPNXKRBKJT-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H26ClN3O2Si/c1-17(2,3)24(4,5)22-10-12-6-7-14(23-12)21-11-20-13-8-9-19-16(18)15(13)21/h8-9,11-12,14H,6-7,10H2,1-5H3/t12-,14-/m0/s1.
What are the key properties of tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 367.95 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 14680648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).