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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride

C117H140BCl5N18O12S — CID 163907770

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 163907770) has the molecular formula C117H140BCl5N18O12S and a molecular weight of 2210.66 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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride.

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 163907770
• Molecular Formula: C117H140BCl5N18O12S
• Molecular Weight: 2210.66 g/mol
• Exact Mass: 2206.92
• 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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CC2(CC(c3ccc(CN)cc3)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(B(C)O)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(S(C)(O)O)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(CNC3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.Cl.[C-]#[N+]c1ccc(C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1
• InChI: InChI=1S/C24H28BClN4O2.C24H29ClN4O3S.C23H25ClN4O.C18H22N2O2.C18H26N2O2.C10H9ClN2O2.ClH/c1-3-20-22(30-13-19(26)8-9-21(30)28-20)23(31)27-12-16-4-6-17(7-5-16)18-10-24(11-18)14-29(15-24)25(2)32;1-3-20-22(29-13-19(25)8-9-21(29)27-20)23(30)26-12-16-4-6-17(7-5-16)18-10-24(11-18)14-28(15-24)33(2,31)32;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;/h4-9,13,18,32H,3,10-12,14-15H2,1-2H3,(H,27,31);4-9,13,18,31-32H,3,10-12,14-15H2,1-2H3,(H,26,30);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);1H
• InChIKey: MUNWWCZGXSGAKD-UHFFFAOYSA-N
• XLogP: 22.95
• TPSA: 362.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.66
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride?

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride (CID 163907770) 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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride.

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride?

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CC2(CC(c3ccc(CN)cc3)C2)C1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(B(C)O)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(S(C)(O)O)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(CNC3)C2)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.Cl.[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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride?

The InChIKey is MUNWWCZGXSGAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BClN4O2.C24H29ClN4O3S.C23H25ClN4O.C18H22N2O2.C18H26N2O2.C10H9ClN2O2.ClH/c1-3-20-22(30-13-19(26)8-9-21(30)28-20)23(31)27-12-16-4-6-17(7-5-16)18-10-24(11-18)14-29(15-24)25(2)32;1-3-20-22(29-13-19(25)8-9-21(29)27-20)23(30)26-12-16-4-6-17(7-5-16)18-10-24(11-18)14-28(15-24)33(2,31)32;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;/h4-9,13,18,32H,3,10-12,14-15H2,1-2H3,(H,27,31);4-9,13,18,31-32H,3,10-12,14-15H2,1-2H3,(H,26,30);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);1H.

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride?

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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 2210.66 g/mol, XLogP of 22.95, 22 rotatable bonds, 9 hydrogen bond donors, and 23 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-isocyanophenyl)-2-azaspiro[3.3]heptane-2-carboxylate;6-chloro-N-[[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;[6-[4-[[(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]-2-azaspiro[3.3]heptan-2-yl]-methylborinic acid;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 163907770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).