1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione

C32H38F2N6O4 — CID 178168532

About 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione

1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione (PubChem CID 178168532) has the molecular formula C32H38F2N6O4 and a molecular weight of 608.69 g/mol. Its IUPAC name is 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 178168532
• Molecular Formula: C32H38F2N6O4
• Molecular Weight: 608.69 g/mol
• Exact Mass: 608.29
• IUPAC Name: 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione
• SMILES: Cc1c(CCOc2c(-c3ccc4ncc(CNCCN5C(=O)CCC5=O)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C
• InChI: InChI=1S/C32H38F2N6O4/c1-19-22(29(37-38(19)5)31(43)32(2,3)4)12-15-44-30-23(7-8-24(33)28(30)34)20-6-9-25-36-17-21(40(25)18-20)16-35-13-14-39-26(41)10-11-27(39)42/h6-9,17-18,31,35,43H,10-16H2,1-5H3
• InChIKey: YJYAXMLQDRRCGY-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 113.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.69
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione (CID 178168532) is 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione is Cc1c(CCOc2c(-c3ccc4ncc(CNCCN5C(=O)CCC5=O)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C.

What is the InChIKey of 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione?

The InChIKey is YJYAXMLQDRRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N6O4/c1-19-22(29(37-38(19)5)31(43)32(2,3)4)12-15-44-30-23(7-8-24(33)28(30)34)20-6-9-25-36-17-21(40(25)18-20)16-35-13-14-39-26(41)10-11-27(39)42/h6-9,17-18,31,35,43H,10-16H2,1-5H3.

What are the key properties of 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione?

1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 608.69 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[6-[3,4-difluoro-2-[2-[3-(1-hydroxy-2,2-dimethylpropyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]methylamino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 178168532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).