tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane

C30H46FN3O2Si — CID 142313753

IUPACtert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane
SMILESCCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCO[Si](C)(C)C(C)(C)C)c4F)CC3)C2)c1
InChIInChI=1S/C30H46FN3O2Si/c1-7-24-11-15-32-27(21-24)34-18-20-35-30(23-34)13-16-33(17-14-30)22-26-10-8-9-25(28(26)31)12-19-36-37(5,6)29(2,3)4/h8-11,15,21H,7,12-14,16-20,22-23H2,1-6H3
InChIKeyZUPLQZPLACVIGS-UHFFFAOYSA-N
MW527.80 g/mol
LogP6.22
Rot. Bonds8

About tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane

tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane (PubChem CID 142313753) has the molecular formula C30H46FN3O2Si and a molecular weight of 527.80 g/mol. Its IUPAC name is tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane
PubChem CID142313753
Molecular FormulaC30H46FN3O2Si
Molecular Weight527.80 g/mol
Exact Mass527.33
IUPAC Nametert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane
SMILESCCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCO[Si](C)(C)C(C)(C)C)c4F)CC3)C2)c1
InChIInChI=1S/C30H46FN3O2Si/c1-7-24-11-15-32-27(21-24)34-18-20-35-30(23-34)13-16-33(17-14-30)22-26-10-8-9-25(28(26)31)12-19-36-37(5,6)29(2,3)4/h8-11,15,21H,7,12-14,16-20,22-23H2,1-6H3
InChIKeyZUPLQZPLACVIGS-UHFFFAOYSA-N
XLogP6.22
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.80
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

9-[(4-Fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450933
N-[2-(adamantan-1-yloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin2-amine
CID 138756629
2-Fluoro-3-[6-(4-morpholinyl)-3-pyridinyl]benzenemethanol
CID 68310187
Tert-butyl-[[2-fluoro-3-[4-(6-morpholin-4-yl-3-pyridinyl)piperazin-1-yl]phenyl]methoxy]-dimethylsilane
CID 89606627
Tert-butyl-[[2-fluoro-3-[4-(5-morpholin-4-yl-2-pyridinyl)piperazin-1-yl]phenyl]methoxy]-dimethylsilane
CID 89606686
8-[2-(2-Fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
CID 118567682
N-[[4-(4-benzylpiperazin-1-yl)-2,2-dimethyloxan-4-yl]methyl]-N-(3-ethyloxiran-2-yl)-3-fluoropyridin-2-amine
CID 126538885
2-[3-[[4-(4-Ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethanol
CID 134394453
Tert-butyl 3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]propanoate
CID 134394454
2-[2-Fluoro-3-[[4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethanol
CID 142313431
9-[[3-(2-Bromoethyl)-5-fluorophenyl]methyl]-4-(4-methyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 142313440
Tert-butyl 3-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]prop-2-enoate
CID 142313653

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane (CID 142313753) is tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane is CCc1ccnc(N2CCOC3(CCN(Cc4cccc(CCO[Si](C)(C)C(C)(C)C)c4F)CC3)C2)c1.
What is the InChIKey of tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane?
The InChIKey is ZUPLQZPLACVIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46FN3O2Si/c1-7-24-11-15-32-27(21-24)34-18-20-35-30(23-34)13-16-33(17-14-30)22-26-10-8-9-25(28(26)31)12-19-36-37(5,6)29(2,3)4/h8-11,15,21H,7,12-14,16-20,22-23H2,1-6H3.
What are the key properties of tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane?
tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane has a molecular weight of 527.80 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[3-[[4-(4-ethyl-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-2-fluorophenyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 142313753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).