tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane

C94H122F3N11O9SSi — CID 158324925

IUPACtert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)(C)OC(=O)N1CCC2(CC=C(OS(=O)(=O)C(F)(F)F)CC2)CC1.CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)CC1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C4=CCC5(CCNCC5)CC4)cc3c2)n1.Cc1cccc(-c2c(-c3ccc4ncc(C5=CCC6(CCCCC6)CC5)cc4c3)ncn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C35H44N4OSi.C28H29N5.C16H24F3NO5S.C15H25NO3/c1-26-9-8-10-32(38-26)34-33(37-24-39(34)25-40-19-20-41(2,3)4)28-11-12-31-29(21-28)22-30(23-36-31)27-13-17-35(18-14-27)15-6-5-7-16-35;1-19-3-2-4-25(33-19)27-26(31-18-32-27)21-5-6-24-22(15-21)16-23(17-30-24)20-7-9-28(10-8-20)11-13-29-14-12-28;1-14(2,3)24-13(21)20-10-8-15(9-11-20)6-4-12(5-7-15)25-26(22,23)16(17,18)19;1-14(2,3)19-13(18)16-10-8-15(9-11-16)6-4-12(17)5-7-15/h8-13,21-24H,5-7,14-20,25H2,1-4H3;2-7,15-18,29H,8-14H2,1H3,(H,31,32);4H,5-11H2,1-3H3;4-11H2,1-3H3
InChIKeyGPHFQRXGCAXZKU-UHFFFAOYSA-N
MW1667.22 g/mol
LogP22.32
Rot. Bonds13

About tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane

tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 158324925) has the molecular formula C94H122F3N11O9SSi and a molecular weight of 1667.22 g/mol. Its IUPAC name is tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID158324925
Molecular FormulaC94H122F3N11O9SSi
Molecular Weight1667.22 g/mol
Exact Mass1665.89
IUPAC Nametert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)(C)OC(=O)N1CCC2(CC=C(OS(=O)(=O)C(F)(F)F)CC2)CC1.CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)CC1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C4=CCC5(CCNCC5)CC4)cc3c2)n1.Cc1cccc(-c2c(-c3ccc4ncc(C5=CCC6(CCCCC6)CC5)cc4c3)ncn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C35H44N4OSi.C28H29N5.C16H24F3NO5S.C15H25NO3/c1-26-9-8-10-32(38-26)34-33(37-24-39(34)25-40-19-20-41(2,3)4)28-11-12-31-29(21-28)22-30(23-36-31)27-13-17-35(18-14-27)15-6-5-7-16-35;1-19-3-2-4-25(33-19)27-26(31-18-32-27)21-5-6-24-22(15-21)16-23(17-30-24)20-7-9-28(10-8-20)11-13-29-14-12-28;1-14(2,3)24-13(21)20-10-8-15(9-11-20)6-4-12(5-7-15)25-26(22,23)16(17,18)19;1-14(2,3)19-13(18)16-10-8-15(9-11-16)6-4-12(17)5-7-15/h8-13,21-24H,5-7,14-20,25H2,1-4H3;2-7,15-18,29H,8-14H2,1H3,(H,31,32);4H,5-11H2,1-3H3;4-11H2,1-3H3
InChIKeyGPHFQRXGCAXZKU-UHFFFAOYSA-N
XLogP22.32
TPSA238.84 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.22
LogP ≤ 522.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate
CID 157362695
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
CID 158101316
trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
CID 156686536
tert-butyl 2-[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(1R)-4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]cyclohex-3-en-1-amine;2-[(1R)-4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]cyclohex-3-en-1-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 158898196
2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156686509
tert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1-carboxylate;2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]piperazin-2-yl]acetic acid
CID 159065976
3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 167367234
tert-butyl 4-(cyanomethyl)-4-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]piperidine-1-carboxylate;2-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]piperidin-4-yl]acetonitrile
CID 69325356
tert-butyl 4-[[3-bromo-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxymethyl]-4-methylpiperidine-1-carboxylate
CID 150238328
tert-butyl 4-[5-[2-[4-cyano-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-oxoethyl]-6-(4,4-dimethylcyclohexen-1-yl)-2-pyridinyl]piperidine-1-carboxylate
CID 148750864
tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate;trimethyl-[2-[[4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 90972913
[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate
CID 167366794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane (CID 158324925) is tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane is CC(C)(C)OC(=O)N1CCC2(CC=C(OS(=O)(=O)C(F)(F)F)CC2)CC1.CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)CC1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C4=CCC5(CCNCC5)CC4)cc3c2)n1.Cc1cccc(-c2c(-c3ccc4ncc(C5=CCC6(CCCCC6)CC5)cc4c3)ncn2COCC[Si](C)(C)C)n1.
What is the InChIKey of tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is GPHFQRXGCAXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4OSi.C28H29N5.C16H24F3NO5S.C15H25NO3/c1-26-9-8-10-32(38-26)34-33(37-24-39(34)25-40-19-20-41(2,3)4)28-11-12-31-29(21-28)22-30(23-36-31)27-13-17-35(18-14-27)15-6-5-7-16-35;1-19-3-2-4-25(33-19)27-26(31-18-32-27)21-5-6-24-22(15-21)16-23(17-30-24)20-7-9-28(10-8-20)11-13-29-14-12-28;1-14(2,3)24-13(21)20-10-8-15(9-11-20)6-4-12(5-7-15)25-26(22,23)16(17,18)19;1-14(2,3)19-13(18)16-10-8-15(9-11-16)6-4-12(17)5-7-15/h8-13,21-24H,5-7,14-20,25H2,1-4H3;2-7,15-18,29H,8-14H2,1H3,(H,31,32);4H,5-11H2,1-3H3;4-11H2,1-3H3.
What are the key properties of tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane?
tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1667.22 g/mol, XLogP of 22.32, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158324925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).