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

C122H139Cl4F3N18O12 — CID 157282660

About 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

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 (PubChem CID 157282660) has the molecular formula C122H139Cl4F3N18O12 and a molecular weight of 2248.37 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157282660
• Molecular Formula: C122H139Cl4F3N18O12
• Molecular Weight: 2248.37 g/mol
• Exact Mass: 2244.95
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N1CC2(CC(c3ccc(CN)cc3)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(C(=O)C(F)(F)F)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(CNC3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.[C-]#[N+]c1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1
• InChI: InChI=1S/C28H33ClN4O3.C25H24ClF3N4O2.C23H25ClN4O.C18H22N2O2.C18H26N2O2.C10H9ClN2O2/c1-5-22-24(33-15-21(29)10-11-23(33)31-22)25(34)30-14-18-6-8-19(9-7-18)20-12-28(13-20)16-32(17-28)26(35)36-27(2,3)4;1-2-19-21(33-12-18(26)7-8-20(33)31-19)22(34)30-11-15-3-5-16(6-4-15)17-9-24(10-17)13-32(14-24)23(35)25(27,28)29;1-2-19-21(28-12-18(24)7-8-20(28)27-19)22(29)26-11-15-3-5-16(6-4-15)17-9-23(10-17)13-25-14-23;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;1-17(2,3)22-16(21)20-11-18(12-20)8-15(9-18)14-6-4-13(10-19)5-7-14;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7/h6-11,15,20H,5,12-14,16-17H2,1-4H3,(H,30,34);3-8,12,17H,2,9-11,13-14H2,1H3,(H,30,34);3-8,12,17,25H,2,9-11,13-14H2,1H3,(H,26,29);5-8,14H,9-12H2,1-3H3;4-7,15H,8-12,19H2,1-3H3;3-5H,2H2,1H3,(H,14,15)
• InChIKey: AZVQXFKOGGIUJB-UHFFFAOYSA-N
• XLogP: 24.15
• TPSA: 345.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2248.37
LogP ≤ 5	24.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CC2(CC(c3ccc(CN)cc3)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(C(=O)C(F)(F)F)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(CNC3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.[C-]#[N+]c1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1.

What is the InChIKey of 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?

The InChIKey is AZVQXFKOGGIUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O3.C25H24ClF3N4O2.C23H25ClN4O.C18H22N2O2.C18H26N2O2.C10H9ClN2O2/c1-5-22-24(33-15-21(29)10-11-23(33)31-22)25(34)30-14-18-6-8-19(9-7-18)20-12-28(13-20)16-32(17-28)26(35)36-27(2,3)4;1-2-19-21(33-12-18(26)7-8-20(33)31-19)22(34)30-11-15-3-5-16(6-4-15)17-9-24(10-17)13-32(14-24)23(35)25(27,28)29;1-2-19-21(28-12-18(24)7-8-20(28)27-19)22(29)26-11-15-3-5-16(6-4-15)17-9-23(10-17)13-25-14-23;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;1-17(2,3)22-16(21)20-11-18(12-20)8-15(9-18)14-6-4-13(10-19)5-7-14;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7/h6-11,15,20H,5,12-14,16-17H2,1-4H3,(H,30,34);3-8,12,17H,2,9-11,13-14H2,1H3,(H,30,34);3-8,12,17,25H,2,9-11,13-14H2,1H3,(H,26,29);5-8,14H,9-12H2,1-3H3;4-7,15H,8-12,19H2,1-3H3;3-5H,2H2,1H3,(H,14,15).

What are the key properties of 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?

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 has a molecular weight of 2248.37 g/mol, XLogP of 24.15, 20 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157282660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).