6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one

C122H152BBrF3N23O9 — CID 157261464

About 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one

6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one (PubChem CID 157261464) has the molecular formula C122H152BBrF3N23O9 and a molecular weight of 2232.42 g/mol. Its IUPAC name is 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one
• PubChem CID: 157261464
• Molecular Formula: C122H152BBrF3N23O9
• Molecular Weight: 2232.42 g/mol
• Exact Mass: 2230.14
• IUPAC Name: 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCCCC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)OC(C)(C)C)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(Br)nc(Nc3ccncc3F)c21
• InChI: InChI=1S/C40H49FN8O3.C36H42FN7O.C32H48BN3O5.C14H13BrFN5/c1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-11-14-42-23-30(31)41)26-9-10-29-34(19-26)49(28-20-27(21-28)46-15-7-6-8-16-46)37(50)40(29)12-17-47(18-13-40)38(51)52-39(3,4)5;1-23(2)43-22-39-31-20-30(41-34(33(31)43)40-29-11-14-38-21-28(29)37)24-9-10-27-32(17-24)44(35(45)36(27)12-5-3-6-13-36)26-18-25(19-26)42-15-7-4-8-16-42;1-29(2,3)39-28(38)35-17-13-32(14-18-35)25-12-11-22(33-40-30(4,5)31(6,7)41-33)19-26(25)36(27(32)37)24-20-23(21-24)34-15-9-8-10-16-34;1-8(2)21-7-18-11-5-12(15)20-14(13(11)21)19-10-3-4-17-6-9(10)16/h9-11,14,19,22-25,27-28H,6-8,12-13,15-18,20-21H2,1-5H3,(H,42,44,45);9-11,14,17,20-23,25-26H,3-8,12-13,15-16,18-19H2,1-2H3,(H,38,40,41);11-12,19,23-24H,8-10,13-18,20-21H2,1-7H3;3-8H,1-2H3,(H,17,19,20)
• InChIKey: AXNADSOFVNPGNM-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 315.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2232.42
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one?

The IUPAC name of 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one (CID 157261464) is 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one.

What is the SMILES notation for 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one?

The canonical SMILES for 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one is CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCCCC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)OC(C)(C)C)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(Br)nc(Nc3ccncc3F)c21.

What is the InChIKey of 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one?

The InChIKey is AXNADSOFVNPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49FN8O3.C36H42FN7O.C32H48BN3O5.C14H13BrFN5/c1-25(2)48-24-43-33-22-32(45-36(35(33)48)44-31-11-14-42-23-30(31)41)26-9-10-29-34(19-26)49(28-20-27(21-28)46-15-7-6-8-16-46)37(50)40(29)12-17-47(18-13-40)38(51)52-39(3,4)5;1-23(2)43-22-39-31-20-30(41-34(33(31)43)40-29-11-14-38-21-28(29)37)24-9-10-27-32(17-24)44(35(45)36(27)12-5-3-6-13-36)26-18-25(19-26)42-15-7-4-8-16-42;1-29(2,3)39-28(38)35-17-13-32(14-18-35)25-12-11-22(33-40-30(4,5)31(6,7)41-33)19-26(25)36(27(32)37)24-20-23(21-24)34-15-9-8-10-16-34;1-8(2)21-7-18-11-5-12(15)20-14(13(11)21)19-10-3-4-17-6-9(10)16/h9-11,14,19,22-25,27-28H,6-8,12-13,15-18,20-21H2,1-5H3,(H,42,44,45);9-11,14,17,20-23,25-26H,3-8,12-13,15-16,18-19H2,1-2H3,(H,38,40,41);11-12,19,23-24H,8-10,13-18,20-21H2,1-7H3;3-8H,1-2H3,(H,17,19,20).

What are the key properties of 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one?

6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one has a molecular weight of 2232.42 g/mol, XLogP of 23.78, 18 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carboxylate;tert-butyl 2-oxo-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;6'-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(3-piperidin-1-ylcyclobutyl)spiro[cyclohexane-1,3'-indole]-2'-one is sourced from PubChem (CID 157261464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).