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

C130H149Cl4F12I4N21O16 — CID 159553239

About 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

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 (PubChem CID 159553239) has the molecular formula C130H149Cl4F12I4N21O16 and a molecular weight of 3139.16 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159553239
• Molecular Formula: C130H149Cl4F12I4N21O16
• Molecular Weight: 3139.16 g/mol
• Exact Mass: 3135.62
• IUPAC Name: 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
• SMILES: C.C.C.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(OC(F)(F)F)cc1)C2.CC(C)(C)OC(=O)N1CC2(CNC2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(I)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(I)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(I)cc1.FC(F)(F)Oc1ccc(N2CC3(CNC3)C2)cc1.N.NCc1ccc(I)cc1.O.O=CO
• InChI: InChI=1S/C29H27ClF3N5O2.2C17H15ClIN3O.C17H21F3N2O3.C12H13F3N2O.C10H9ClN2O2.C10H18N2O2.C7H4F3IO.C7H8IN.CH2O2.3CH4.H3N.H2O/c1-2-24-26(38-14-20(30)5-12-25(38)35-24)27(39)34-13-19-3-6-21(7-4-19)36-15-28(16-36)17-37(18-28)22-8-10-23(11-9-22)40-29(31,32)33;2*1-2-14-16(22-10-12(18)5-8-15(22)21-14)17(23)20-9-11-3-6-13(19)7-4-11;1-15(2,3)25-14(23)22-10-16(11-22)8-21(9-16)12-4-6-13(7-5-12)24-17(18,19)20;13-12(14,15)18-10-3-1-9(2-4-10)17-7-11(8-17)5-16-6-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;8-7(9,10)12-6-3-1-5(11)2-4-6;8-7-3-1-6(5-9)2-4-7;2-1-3;;;;;/h3-12,14H,2,13,15-18H2,1H3,(H,34,39);2*3-8,10H,2,9H2,1H3,(H,20,23);4-7H,8-11H2,1-3H3;1-4,16H,5-8H2;3-5H,2H2,1H3,(H,14,15);11H,4-7H2,1-3H3;1-4H;1-4H,5,9H2;1H,(H,2,3);3*1H4;1H3;1H2
• InChIKey: OJDXZDQWGAEBCS-UHFFFAOYSA-N
• XLogP: 28.47
• TPSA: 456.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3139.16
LogP ≤ 5	28.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(OC(F)(F)F)cc1)C2.CC(C)(C)OC(=O)N1CC2(CNC2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(I)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(I)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CN(c2ccc(OC(F)(F)F)cc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.FC(F)(F)Oc1ccc(I)cc1.FC(F)(F)Oc1ccc(N2CC3(CNC3)C2)cc1.N.NCc1ccc(I)cc1.O.O=CO.

What is the InChIKey of 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?

The InChIKey is OJDXZDQWGAEBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF3N5O2.2C17H15ClIN3O.C17H21F3N2O3.C12H13F3N2O.C10H9ClN2O2.C10H18N2O2.C7H4F3IO.C7H8IN.CH2O2.3CH4.H3N.H2O/c1-2-24-26(38-14-20(30)5-12-25(38)35-24)27(39)34-13-19-3-6-21(7-4-19)36-15-28(16-36)17-37(18-28)22-8-10-23(11-9-22)40-29(31,32)33;2*1-2-14-16(22-10-12(18)5-8-15(22)21-14)17(23)20-9-11-3-6-13(19)7-4-11;1-15(2,3)25-14(23)22-10-16(11-22)8-21(9-16)12-4-6-13(7-5-12)24-17(18,19)20;13-12(14,15)18-10-3-1-9(2-4-10)17-7-11(8-17)5-16-6-11;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;8-7(9,10)12-6-3-1-5(11)2-4-6;8-7-3-1-6(5-9)2-4-7;2-1-3;;;;;/h3-12,14H,2,13,15-18H2,1H3,(H,34,39);2*3-8,10H,2,9H2,1H3,(H,20,23);4-7H,8-11H2,1-3H3;1-4,16H,5-8H2;3-5H,2H2,1H3,(H,14,15);11H,4-7H2,1-3H3;1-4H;1-4H,5,9H2;1H,(H,2,3);3*1H4;1H3;1H2.

What are the key properties of 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?

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 has a molecular weight of 3139.16 g/mol, XLogP of 28.47, 23 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159553239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).