1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one

C119H141F3N24O8 — CID 159604840

About 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one

1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 159604840) has the molecular formula C119H141F3N24O8 and a molecular weight of 2092.59 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 159604840
• Molecular Formula: C119H141F3N24O8
• Molecular Weight: 2092.59 g/mol
• Exact Mass: 2091.13
• IUPAC Name: 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4COC4)CC3)nc(Nc3ccncc3F)c21
• InChI: InChI=1S/C41H49FN8O3.C40H47FN8O3.C38H45FN8O2/c1-25(2)49-24-44-33-21-32(46-36(35(33)49)45-31-8-13-43-22-30(31)42)26-6-7-29-34(18-26)50(28-19-27(20-28)48-14-9-39(3,4)23-48)38(52)41(29)10-15-47(16-11-41)37(51)40(5)12-17-53-40;1-24(2)48-23-43-33-18-32(45-36(35(33)48)44-31-7-11-42-19-30(31)41)25-5-6-29-34(15-25)49(28-16-27(17-28)47-12-8-39(3,4)22-47)38(51)40(29)9-13-46(14-10-40)37(50)26-20-52-21-26;1-23(2)46-22-41-32-16-31(43-35(34(32)46)42-30-7-10-40-17-29(30)39)24-5-6-28-33(13-24)47(26-14-25(15-26)45-20-37(3,4)21-45)36(48)38(28)8-11-44(12-9-38)27-18-49-19-27/h6-8,13,18,21-22,24-25,27-28H,9-12,14-17,19-20,23H2,1-5H3,(H,43,45,46);5-7,11,15,18-19,23-24,26-28H,8-10,12-14,16-17,20-22H2,1-4H3,(H,42,44,45);5-7,10,13,16-17,22-23,25-27H,8-9,11-12,14-15,18-21H2,1-4H3,(H,40,42,43)
• InChIKey: MLYIBJFMOOLAQZ-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 309.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.59
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?

The IUPAC name of 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 159604840) is 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?

The canonical SMILES for 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CC(C)(C)C5)C3)C(=O)C43CCN(C4COC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCO4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4COC4)CC3)nc(Nc3ccncc3F)c21.

What is the InChIKey of 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?

The InChIKey is MLYIBJFMOOLAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49FN8O3.C40H47FN8O3.C38H45FN8O2/c1-25(2)49-24-44-33-21-32(46-36(35(33)49)45-31-8-13-43-22-30(31)42)26-6-7-29-34(18-26)50(28-19-27(20-28)48-14-9-39(3,4)23-48)38(52)41(29)10-15-47(16-11-41)37(51)40(5)12-17-53-40;1-24(2)48-23-43-33-18-32(45-36(35(33)48)44-31-7-11-42-19-30(31)41)25-5-6-29-34(15-25)49(28-16-27(17-28)47-12-8-39(3,4)22-47)38(51)40(29)9-13-46(14-10-40)37(50)26-20-52-21-26;1-23(2)46-22-41-32-16-31(43-35(34(32)46)42-30-7-10-40-17-29(30)39)24-5-6-28-33(13-24)47(26-14-25(15-26)45-20-37(3,4)21-45)36(48)38(28)8-11-44(12-9-38)27-18-49-19-27/h6-8,13,18,21-22,24-25,27-28H,9-12,14-17,19-20,23H2,1-5H3,(H,43,45,46);5-7,11,15,18-19,23-24,26-28H,8-10,12-14,16-17,20-22H2,1-4H3,(H,42,44,45);5-7,10,13,16-17,22-23,25-27H,8-9,11-12,14-15,18-21H2,1-4H3,(H,40,42,43).

What are the key properties of 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one?

1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 2092.59 g/mol, XLogP of 18.59, 21 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,3-dimethylazetidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxetane-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one;1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(oxetane-3-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 159604840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).