6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

C90H101Cl2FN16O14S5 — CID 162158551

About 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (PubChem CID 162158551) has the molecular formula C90H101Cl2FN16O14S5 and a molecular weight of 1881.13 g/mol. Its IUPAC name is 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
• PubChem CID: 162158551
• Molecular Formula: C90H101Cl2FN16O14S5
• Molecular Weight: 1881.13 g/mol
• Exact Mass: 1878.56
• IUPAC Name: 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CS(=O)(=O)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCc1nc2n(c1C(=O)NCc1ccc(N3CC4(C3)CS(=O)(=O)C4)cc1)CCCC2.NCc1ccc(N2CC3(C2)CS(=O)(=O)C3)cc1.O=S1(=O)CC2(CNC2)C1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3(C2)CS(=O)(=O)C3)cc1
• InChI: InChI=1S/C22H23ClN4O3S.C22H28N4O3S.C12H12N2O2S.C12H16N2O2S.C10H9ClN2O2.C7H4FN.C5H9NO2S/c1-2-18-20(27-10-16(23)5-8-19(27)25-18)21(28)24-9-15-3-6-17(7-4-15)26-11-22(12-26)13-31(29,30)14-22;1-2-18-20(26-10-4-3-5-19(26)24-18)21(27)23-11-16-6-8-17(9-7-16)25-12-22(13-25)14-30(28,29)15-22;1-13-10-2-4-11(5-3-10)14-6-12(7-14)8-17(15,16)9-12;13-5-10-1-3-11(4-2-10)14-6-12(7-14)8-17(15,16)9-12;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9-7-4-2-6(8)3-5-7;7-9(8)3-5(4-9)1-6-2-5/h3-8,10H,2,9,11-14H2,1H3,(H,24,28);6-9H,2-5,10-15H2,1H3,(H,23,27);2-5H,6-9H2;1-4H,5-9,13H2;3-5H,2H2,1H3,(H,14,15);2-5H;6H,1-4H2
• InChIKey: ZMDRTQGZWRMRES-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 378.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.13
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

The IUPAC name of 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (CID 162158551) is 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.

What is the SMILES notation for 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

The canonical SMILES for 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CC3(C2)CS(=O)(=O)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.CCc1nc2n(c1C(=O)NCc1ccc(N3CC4(C3)CS(=O)(=O)C4)cc1)CCCC2.NCc1ccc(N2CC3(C2)CS(=O)(=O)C3)cc1.O=S1(=O)CC2(CNC2)C1.[C-]#[N+]c1ccc(F)cc1.[C-]#[N+]c1ccc(N2CC3(C2)CS(=O)(=O)C3)cc1.

What is the InChIKey of 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

The InChIKey is ZMDRTQGZWRMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S.C22H28N4O3S.C12H12N2O2S.C12H16N2O2S.C10H9ClN2O2.C7H4FN.C5H9NO2S/c1-2-18-20(27-10-16(23)5-8-19(27)25-18)21(28)24-9-15-3-6-17(7-4-15)26-11-22(12-26)13-31(29,30)14-22;1-2-18-20(26-10-4-3-5-19(26)24-18)21(27)23-11-16-6-8-17(9-7-16)25-12-22(13-25)14-30(28,29)15-22;1-13-10-2-4-11(5-3-10)14-6-12(7-14)8-17(15,16)9-12;13-5-10-1-3-11(4-2-10)14-6-12(7-14)8-17(15,16)9-12;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;1-9-7-4-2-6(8)3-5-7;7-9(8)3-5(4-9)1-6-2-5/h3-8,10H,2,9,11-14H2,1H3,(H,24,28);6-9H,2-5,10-15H2,1H3,(H,23,27);2-5H,6-9H2;1-4H,5-9,13H2;3-5H,2H2,1H3,(H,14,15);2-5H;6H,1-4H2.

What are the key properties of 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 1881.13 g/mol, XLogP of 10.14, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methanamine;N-[[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]methyl]-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;1-fluoro-4-isocyanobenzene;6-(4-isocyanophenyl)-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide;2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 162158551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).