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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one

C125H151F3N24O9 — CID 162050319

About 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-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'-(2-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 162050319) has the molecular formula C125H151F3N24O9 and a molecular weight of 2190.74 g/mol. Its IUPAC name is 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 162050319
• Molecular Formula: C125H151F3N24O9
• Molecular Weight: 2190.74 g/mol
• Exact Mass: 2189.20
• IUPAC Name: 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCCO4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4CCOCC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)[C@H]4CCCO4)CC3)nc(Nc3ccncc3F)c21
• InChI: InChI=1S/2C42H51FN8O3.C41H49FN8O3/c1-26(2)50-25-45-34-22-33(47-37(36(34)50)46-32-9-14-44-23-31(32)43)27-7-8-30-35(19-27)51(29-20-28(21-29)49-15-11-40(3,4)24-49)39(53)42(30)12-16-48(17-13-42)38(52)41(5)10-6-18-54-41;1-26(2)50-25-45-35-22-34(47-38(37(35)50)46-33-7-13-44-23-32(33)43)28-5-6-31-36(19-28)51(30-20-29(21-30)49-14-10-41(3,4)24-49)40(53)42(31)11-15-48(16-12-42)39(52)27-8-17-54-18-9-27;1-25(2)49-24-44-33-21-32(46-37(36(33)49)45-31-9-13-43-22-30(31)42)26-7-8-29-34(18-26)50(28-19-27(20-28)48-14-10-40(3,4)23-48)39(52)41(29)11-15-47(16-12-41)38(51)35-6-5-17-53-35/h7-9,14,19,22-23,25-26,28-29H,6,10-13,15-18,20-21,24H2,1-5H3,(H,44,46,47);5-7,13,19,22-23,25-27,29-30H,8-12,14-18,20-21,24H2,1-4H3,(H,44,46,47);7-9,13,18,21-22,24-25,27-28,35H,5-6,10-12,14-17,19-20,23H2,1-4H3,(H,43,45,46)/t;;27?,28?,35-/m..1/s1
• InChIKey: YYLPZCCAGPBJBQ-IUWZDBBRSA-N
• XLogP: 20.45
• TPSA: 326.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.74
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?

The IUPAC name of 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one (CID 162050319) is 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?

The canonical SMILES for 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCCO4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)C4CCOCC4)CC3)nc(Nc3ccncc3F)c21.CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC(C)(C)C5)C3)C(=O)C43CCN(C(=O)[C@H]4CCCO4)CC3)nc(Nc3ccncc3F)c21.

What is the InChIKey of 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one?

The InChIKey is YYLPZCCAGPBJBQ-IUWZDBBRSA-N. The full InChI is InChI=1S/2C42H51FN8O3.C41H49FN8O3/c1-26(2)50-25-45-34-22-33(47-37(36(34)50)46-32-9-14-44-23-31(32)43)27-7-8-30-35(19-27)51(29-20-28(21-29)49-15-11-40(3,4)24-49)39(53)42(30)12-16-48(17-13-42)38(52)41(5)10-6-18-54-41;1-26(2)50-25-45-35-22-34(47-38(37(35)50)46-33-7-13-44-23-32(33)43)28-5-6-31-36(19-28)51(30-20-29(21-30)49-14-10-41(3,4)24-49)40(53)42(31)11-15-48(16-12-42)39(52)27-8-17-54-18-9-27;1-25(2)49-24-44-33-21-32(46-37(36(33)49)45-31-9-13-43-22-30(31)42)26-7-8-29-34(18-26)50(28-19-27(20-28)48-14-10-40(3,4)23-48)39(52)41(29)11-15-47(16-12-41)38(51)35-6-5-17-53-35/h7-9,14,19,22-23,25-26,28-29H,6,10-13,15-18,20-21,24H2,1-5H3,(H,44,46,47);5-7,13,19,22-23,25-27,29-30H,8-12,14-18,20-21,24H2,1-4H3,(H,44,46,47);7-9,13,18,21-22,24-25,27-28,35H,5-6,10-12,14-17,19-20,23H2,1-4H3,(H,43,45,46)/t;;27?,28?,35-/m..1/s1.

What are the key properties of 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-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-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'-(2-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 2190.74 g/mol, XLogP of 20.45, 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-dimethylpyrrolidin-1-yl)cyclobutyl]-6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1'-(2-methyloxolane-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'-(oxane-4-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'-[(2R)-oxolane-2-carbonyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 162050319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).