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

C120H143B3BrF2N17O18 — CID 158693449

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

1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one (PubChem CID 158693449) has the molecular formula C120H143B3BrF2N17O18 and a molecular weight of 2261.90 g/mol. Its IUPAC name is 1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one
• PubChem CID: 158693449
• Molecular Formula: C120H143B3BrF2N17O18
• Molecular Weight: 2261.90 g/mol
• Exact Mass: 2260.02
• IUPAC Name: 1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one
• SMILES: CC(=O)N1CCC2(CC1)C(=O)N(C1CC(=O)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.CC(=O)N1CCC2(CC1)C(=O)N(C1CC(=O)C1)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C1CC(=O)C1)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)n1cnc2cc(Br)nc(Nc3ccncc3F)c21.CC1(C)OB(c2ccc3c(c2)N(C2CC(=O)C2)C(=O)C32CCCCC2)OC1(C)C
• InChI: InChI=1S/C32H32FN7O3.C27H37BN2O6.C24H31BN2O5.C23H30BNO4.C14H13BrFN5/c1-18(2)39-17-35-27-15-26(37-30(29(27)39)36-25-6-9-34-16-24(25)33)20-4-5-23-28(12-20)40(21-13-22(42)14-21)31(43)32(23)7-10-38(11-8-32)19(3)41;1-24(2,3)34-23(33)29-12-10-27(11-13-29)20-9-8-17(28-35-25(4,5)26(6,7)36-28)14-21(20)30(22(27)32)18-15-19(31)16-18;1-15(28)26-10-8-24(9-11-26)19-7-6-16(25-31-22(2,3)23(4,5)32-25)12-20(19)27(21(24)30)17-13-18(29)14-17;1-21(2)22(3,4)29-24(28-21)15-8-9-18-19(12-15)25(16-13-17(26)14-16)20(27)23(18)10-6-5-7-11-23;1-8(2)21-7-18-11-5-12(15)20-14(13(11)21)19-10-3-4-17-6-9(10)16/h4-6,9,12,15-18,21H,7-8,10-11,13-14H2,1-3H3,(H,34,36,37);8-9,14,18H,10-13,15-16H2,1-7H3;6-7,12,17H,8-11,13-14H2,1-5H3;8-9,12,16H,5-7,10-11,13-14H2,1-4H3;3-8H,1-2H3,(H,17,19,20)
• InChIKey: IGQHZZQWJPFKNX-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 386.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.90
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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

The IUPAC name of 1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one (CID 158693449) is 1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one.

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

The canonical SMILES for 1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one is CC(=O)N1CCC2(CC1)C(=O)N(C1CC(=O)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccncc4F)n3)ccc12.CC(=O)N1CCC2(CC1)C(=O)N(C1CC(=O)C1)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C1CC(=O)C1)c1cc(B3OC(C)(C)C(C)(C)O3)ccc12.CC(C)n1cnc2cc(Br)nc(Nc3ccncc3F)c21.CC1(C)OB(c2ccc3c(c2)N(C2CC(=O)C2)C(=O)C32CCCCC2)OC1(C)C.

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

The InChIKey is IGQHZZQWJPFKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O3.C27H37BN2O6.C24H31BN2O5.C23H30BNO4.C14H13BrFN5/c1-18(2)39-17-35-27-15-26(37-30(29(27)39)36-25-6-9-34-16-24(25)33)20-4-5-23-28(12-20)40(21-13-22(42)14-21)31(43)32(23)7-10-38(11-8-32)19(3)41;1-24(2,3)34-23(33)29-12-10-27(11-13-29)20-9-8-17(28-35-25(4,5)26(6,7)36-28)14-21(20)30(22(27)32)18-15-19(31)16-18;1-15(28)26-10-8-24(9-11-26)19-7-6-16(25-31-22(2,3)23(4,5)32-25)12-20(19)27(21(24)30)17-13-18(29)14-17;1-21(2)22(3,4)29-24(28-21)15-8-9-18-19(12-15)25(16-13-17(26)14-16)20(27)23(18)10-6-5-7-11-23;1-8(2)21-7-18-11-5-12(15)20-14(13(11)21)19-10-3-4-17-6-9(10)16/h4-6,9,12,15-18,21H,7-8,10-11,13-14H2,1-3H3,(H,34,36,37);8-9,14,18H,10-13,15-16H2,1-7H3;6-7,12,17H,8-11,13-14H2,1-5H3;8-9,12,16H,5-7,10-11,13-14H2,1-4H3;3-8H,1-2H3,(H,17,19,20).

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

1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one has a molecular weight of 2261.90 g/mol, XLogP of 17.51, 14 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-acetyl-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-(3-oxocyclobutyl)spiro[indole-3,4'-piperidine]-2-one;1'-acetyl-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one;6-bromo-N-(3-fluoro-4-pyridinyl)-3-propan-2-ylimidazo[4,5-c]pyridin-4-amine;tert-butyl 2-oxo-1-(3-oxocyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-1'-carboxylate;1'-(3-oxocyclobutyl)-6'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclohexane-1,3'-indole]-2'-one is sourced from PubChem (CID 158693449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).