6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

C144H179N29O11S5 — CID 157341725

About 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide

6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (PubChem CID 157341725) has the molecular formula C144H179N29O11S5 and a molecular weight of 2652.54 g/mol. Its IUPAC name is 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

• Compound Name: 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
• PubChem CID: 157341725
• Molecular Formula: C144H179N29O11S5
• Molecular Weight: 2652.54 g/mol
• Exact Mass: 2650.29
• IUPAC Name: 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
• SMILES: CC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(C3CCC(N4CC5(C4)CS(=O)(=O)C5)CC3)nc12.COc1cc(-c2[nH]c3ccc(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)nc3c2C(C)C)cnc1N=CN.Cc1c(-c2[nH]c3ccc(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)nc3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3ccc(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)nc3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3ccc(C4CCC(N5CC6(CCS6(=O)=O)C5)CC4)nc3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/3C29H36N6O2S.C29H35N5O2S.C28H36N6O3S/c2*1-17(2)25-26(22-11-35-28(30-16-31-35)19(4)18(22)3)33-24-10-9-23(32-27(24)25)20-5-7-21(8-6-20)34-12-29(13-34)14-38(36,37)15-29;1-17(2)25-26(22-13-35-28(30-16-31-35)19(4)18(22)3)33-24-10-9-23(32-27(24)25)20-5-7-21(8-6-20)34-14-29(15-34)11-12-38(29,36)37;1-18(2)25-26(22-13-33(3)28-21(22)5-4-12-30-28)32-24-11-10-23(31-27(24)25)19-6-8-20(9-7-19)34-14-29(15-34)16-37(35,36)17-29;1-17(2)24-25(19-10-23(37-3)27(30-11-19)31-16-29)33-22-9-8-21(32-26(22)24)18-4-6-20(7-5-18)34-12-28(13-34)14-38(35,36)15-28/h2*9-11,16-17,20-21,33H,5-8,12-15H2,1-4H3;9-10,13,16-17,20-21,33H,5-8,11-12,14-15H2,1-4H3;4-5,10-13,18-20,32H,6-9,14-17H2,1-3H3;8-11,16-18,20,33H,4-7,12-15H2,1-3H3,(H2,29,30,31)
• InChIKey: BGLZKJUFDSFTDK-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 499.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2652.54
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

The IUPAC name of 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide (CID 157341725) is 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide.

What is the SMILES notation for 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

The canonical SMILES for 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is CC(C)c1c(-c2cn(C)c3ncccc23)[nH]c2ccc(C3CCC(N4CC5(C4)CS(=O)(=O)C5)CC3)nc12.COc1cc(-c2[nH]c3ccc(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)nc3c2C(C)C)cnc1N=CN.Cc1c(-c2[nH]c3ccc(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)nc3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3ccc(C4CCC(N5CC6(C5)CS(=O)(=O)C6)CC4)nc3c2C(C)C)cn2ncnc2c1C.Cc1c(-c2[nH]c3ccc(C4CCC(N5CC6(CCS6(=O)=O)C5)CC4)nc3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

The InChIKey is BGLZKJUFDSFTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H36N6O2S.C29H35N5O2S.C28H36N6O3S/c2*1-17(2)25-26(22-11-35-28(30-16-31-35)19(4)18(22)3)33-24-10-9-23(32-27(24)25)20-5-7-21(8-6-20)34-12-29(13-34)14-38(36,37)15-29;1-17(2)25-26(22-13-35-28(30-16-31-35)19(4)18(22)3)33-24-10-9-23(32-27(24)25)20-5-7-21(8-6-20)34-14-29(15-34)11-12-38(29,36)37;1-18(2)25-26(22-13-33(3)28-21(22)5-4-12-30-28)32-24-11-10-23(31-27(24)25)19-6-8-20(9-7-19)34-14-29(15-34)16-37(35,36)17-29;1-17(2)24-25(19-10-23(37-3)27(30-11-19)31-16-29)33-22-9-8-21(32-26(22)24)18-4-6-20(7-5-18)34-12-28(13-34)14-38(35,36)15-28/h2*9-11,16-17,20-21,33H,5-8,12-15H2,1-4H3;9-10,13,16-17,20-21,33H,5-8,11-12,14-15H2,1-4H3;4-5,10-13,18-20,32H,6-9,14-17H2,1-3H3;8-11,16-18,20,33H,4-7,12-15H2,1-3H3,(H2,29,30,31).

What are the key properties of 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide?

6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 2652.54 g/mol, XLogP of 23.58, 22 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;bis(6-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide);N'-[5-[5-[4-(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-3-methoxy-2-pyridinyl]methanimidamide;6-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 157341725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).