tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide

C139H153BCl2F13I3N16O15 — CID 158177607

IUPACtert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide
SMILESC.C.CC(C)(C)OC(=O)N1CC2(CC(I)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.F.FC(F)(F)Oc1ccc(I)cc1.I.NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.O=CO.[C-]#[N+]c1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(CNC3)C2)cc1.[H][H]
InChIInChI=1S/C30H28ClF3N4O2.C20H17F3N2O.C20H21F3N2O.C18H22N2O2.C13H14N2.C11H18INO2.C10H9ClN2O2.C7H6BNO2.C7H4F3IO.CH2O2.2CH4.FH.HI.H2/c1-2-25-27(38-16-22(31)7-12-26(38)36-25)28(39)35-15-19-3-5-20(6-4-19)21-13-29(14-21)17-37(18-29)23-8-10-24(11-9-23)40-30(32,33)34;1-24-16-4-2-14(3-5-16)15-10-19(11-15)12-25(13-19)17-6-8-18(9-7-17)26-20(21,22)23;21-20(22,23)26-18-7-5-17(6-8-18)25-12-19(13-25)9-16(10-19)15-3-1-14(11-24)2-4-15;1-17(2,3)22-16(21)20-11-18(12-20)9-14(10-18)13-5-7-15(19-4)8-6-13;1-14-12-4-2-10(3-5-12)11-6-13(7-11)8-15-9-13;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9-7-4-2-6(3-5-7)8(10)11;8-7(9,10)12-6-3-1-5(11)2-4-6;2-1-3;;;;;/h3-12,16,21H,2,13-15,17-18H2,1H3,(H,35,39);2-9,15H,10-13H2;1-8,16H,9-13,24H2;5-8,14H,9-12H2,1-3H3;2-5,11,15H,6-9H2;8H,4-7H2,1-3H3;3-5H,2H2,1H3,(H,14,15);2-5,10-11H;1-4H;1H,(H,2,3);2*1H4;3*1H
InChIKeyKUPVVTXQJOYYBF-UHFFFAOYSA-N
MW2997.25 g/mol
LogP33.93
Rot. Bonds20

About tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide

tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide (PubChem CID 158177607) has the molecular formula C139H153BCl2F13I3N16O15 and a molecular weight of 2997.25 g/mol. Its IUPAC name is tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide.

Molecular Properties

Compound Nametert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide
PubChem CID158177607
Molecular FormulaC139H153BCl2F13I3N16O15
Molecular Weight2997.25 g/mol
Exact Mass2994.81
IUPAC Nametert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide
SMILESC.C.CC(C)(C)OC(=O)N1CC2(CC(I)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.F.FC(F)(F)Oc1ccc(I)cc1.I.NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.O=CO.[C-]#[N+]c1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(CNC3)C2)cc1.[H][H]
InChIInChI=1S/C30H28ClF3N4O2.C20H17F3N2O.C20H21F3N2O.C18H22N2O2.C13H14N2.C11H18INO2.C10H9ClN2O2.C7H6BNO2.C7H4F3IO.CH2O2.2CH4.FH.HI.H2/c1-2-25-27(38-16-22(31)7-12-26(38)36-25)28(39)35-15-19-3-5-20(6-4-19)21-13-29(14-21)17-37(18-29)23-8-10-24(11-9-23)40-30(32,33)34;1-24-16-4-2-14(3-5-16)15-10-19(11-15)12-25(13-19)17-6-8-18(9-7-17)26-20(21,22)23;21-20(22,23)26-18-7-5-17(6-8-18)25-12-19(13-25)9-16(10-19)15-3-1-14(11-24)2-4-15;1-17(2,3)22-16(21)20-11-18(12-20)9-14(10-18)13-5-7-15(19-4)8-6-13;1-14-12-4-2-10(3-5-12)11-6-13(7-11)8-15-9-13;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9-7-4-2-6(3-5-7)8(10)11;8-7(9,10)12-6-3-1-5(11)2-4-6;2-1-3;;;;;/h3-12,16,21H,2,13-15,17-18H2,1H3,(H,35,39);2-9,15H,10-13H2;1-8,16H,9-13,24H2;5-8,14H,9-12H2,1-3H3;2-5,11,15H,6-9H2;8H,4-7H2,1-3H3;3-5H,2H2,1H3,(H,14,15);2-5,10-11H;1-4H;1H,(H,2,3);2*1H4;3*1H
InChIKeyKUPVVTXQJOYYBF-UHFFFAOYSA-N
XLogP33.93
TPSA339.97 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002997.25
LogP ≤ 533.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide with MolForge

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Related Compounds

N-[[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;tert-butyl 6-[4-(aminomethyl)phenyl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-(2,2,2-trifluoroacetyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157282660
azane;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;bis(6-chloro-2-ethyl-N-[(4-iodophenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide);formic acid;(4-iodophenyl)methanamine;1-iodo-4-(trifluoromethoxy)benzene;methane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;hydrate
CID 157284209
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
CID 157545786
azane;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[(4-iodophenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[(4-iodophenyl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;formic acid;(4-iodophenyl)methanamine;1-iodo-4-(trifluoromethoxy)benzene;methane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;hydrate
CID 157822067
Tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide
CID 158054499
4-bromo-2-fluoro-1-isocyanobenzene;1-bromo-4-(trifluoromethoxy)benzene;tert-butyl 6-(3-fluoro-4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethyl-N-[[2-fluoro-4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-(3-fluoro-4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(3-fluoro-4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[2-fluoro-4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrochloride
CID 158366947
6-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;4-iodobenzonitrile;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;methane;phosphane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrate
CID 158449813
tert-butyl 6-(difluoromethoxy)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[6-(trifluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(difluoromethoxy)-2-azaspiro[3.3]heptane;[4-[6-(difluoromethoxy)-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;6-(difluoromethoxy)-2-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;1-fluoro-4-isocyanobenzene
CID 158911668
6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
CID 158971569
6-Chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium
CID 159115267
azane;tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;bis(6-chloro-2-ethyl-N-[(4-iodophenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide);6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;(4-iodophenyl)methanamine;1-iodo-4-(trifluoromethoxy)benzene;methane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;hydrate
CID 159553239
6-Chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-3-[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]propan-1-one;4-iodobenzonitrile;2-(4-isocyanophenyl)-6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;[4-[6-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-2-yl]phenyl]methanamine;tritium monohydride;uranium;vanadium
CID 159834608

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide?
The IUPAC name of tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide (CID 158177607) is tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide.
What is the SMILES notation for tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide?
The canonical SMILES for tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide is C.C.CC(C)(C)OC(=O)N1CC2(CC(I)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.F.FC(F)(F)Oc1ccc(I)cc1.I.NCc1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.O=CO.[C-]#[N+]c1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(CNC3)C2)cc1.[H][H].
What is the InChIKey of tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide?
The InChIKey is KUPVVTXQJOYYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF3N4O2.C20H17F3N2O.C20H21F3N2O.C18H22N2O2.C13H14N2.C11H18INO2.C10H9ClN2O2.C7H6BNO2.C7H4F3IO.CH2O2.2CH4.FH.HI.H2/c1-2-25-27(38-16-22(31)7-12-26(38)36-25)28(39)35-15-19-3-5-20(6-4-19)21-13-29(14-21)17-37(18-29)23-8-10-24(11-9-23)40-30(32,33)34;1-24-16-4-2-14(3-5-16)15-10-19(11-15)12-25(13-19)17-6-8-18(9-7-17)26-20(21,22)23;21-20(22,23)26-18-7-5-17(6-8-18)25-12-19(13-25)9-16(10-19)15-3-1-14(11-24)2-4-15;1-17(2,3)22-16(21)20-11-18(12-20)9-14(10-18)13-5-7-15(19-4)8-6-13;1-14-12-4-2-10(3-5-12)11-6-13(7-11)8-15-9-13;1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9-7-4-2-6(3-5-7)8(10)11;8-7(9,10)12-6-3-1-5(11)2-4-6;2-1-3;;;;;/h3-12,16,21H,2,13-15,17-18H2,1H3,(H,35,39);2-9,15H,10-13H2;1-8,16H,9-13,24H2;5-8,14H,9-12H2,1-3H3;2-5,11,15H,6-9H2;8H,4-7H2,1-3H3;3-5H,2H2,1H3,(H,14,15);2-5,10-11H;1-4H;1H,(H,2,3);2*1H4;3*1H.
What are the key properties of tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide?
tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide has a molecular weight of 2997.25 g/mol, XLogP of 33.93, 20 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-iodo-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;formic acid;1-iodo-4-(trifluoromethoxy)benzene;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;(4-isocyanophenyl)boronic acid;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptane;methane;molecular hydrogen;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrofluoride;hydroiodide is sourced from PubChem (CID 158177607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).