tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane

C21H28ClN5OSi — CID 171062291

IUPACtert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccnc(-c3cnc4ccc(Cl)nn34)c2)C1
InChIInChI=1S/C21H28ClN5OSi/c1-21(2,3)29(4,5)28-16-9-11-26(14-16)15-8-10-23-17(12-15)18-13-24-20-7-6-19(22)25-27(18)20/h6-8,10,12-13,16H,9,11,14H2,1-5H3/t16-/m0/s1
InChIKeyMGAADPHLGAKAMY-INIZCTEOSA-N
MW430.03 g/mol
LogP5.05
Rot. Bonds4

About tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 171062291) has the molecular formula C21H28ClN5OSi and a molecular weight of 430.03 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID171062291
Molecular FormulaC21H28ClN5OSi
Molecular Weight430.03 g/mol
Exact Mass429.18
IUPAC Nametert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccnc(-c3cnc4ccc(Cl)nn34)c2)C1
InChIInChI=1S/C21H28ClN5OSi/c1-21(2,3)29(4,5)28-16-9-11-26(14-16)15-8-10-23-17(12-15)18-13-24-20-7-6-19(22)25-27(18)20/h6-8,10,12-13,16H,9,11,14H2,1-5H3/t16-/m0/s1
InChIKeyMGAADPHLGAKAMY-INIZCTEOSA-N
XLogP5.05
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.03
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 86686011
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861
tert-butyl-dimethyl-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxysilane
CID 141180925
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide
CID 139359278
tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane
CID 156753397
5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
CID 169081409
3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
CID 139358187
6-chloro-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
CID 57478198
3-(6-chloropyrimidin-4-yl)-6-cyclopropylimidazo[1,2-b]pyridazine
CID 139343513
6-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-amine
CID 140876627
tert-butyl-dimethyl-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]oxysilane
CID 59546367
2-chloro-4-(3,4-dimethylpiperidin-1-yl)pyridine
CID 103878204

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane (CID 171062291) is tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccnc(-c3cnc4ccc(Cl)nn34)c2)C1.
What is the InChIKey of tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is MGAADPHLGAKAMY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28ClN5OSi/c1-21(2,3)29(4,5)28-16-9-11-26(14-16)15-8-10-23-17(12-15)18-13-24-20-7-6-19(22)25-27(18)20/h6-8,10,12-13,16H,9,11,14H2,1-5H3/t16-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 430.03 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 171062291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).