1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

C33H37F2N5O2 — CID 178168446

About 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (PubChem CID 178168446) has the molecular formula C33H37F2N5O2 and a molecular weight of 573.69 g/mol. Its IUPAC name is 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
• PubChem CID: 178168446
• Molecular Formula: C33H37F2N5O2
• Molecular Weight: 573.69 g/mol
• Exact Mass: 573.29
• IUPAC Name: 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
• SMILES: Cc1c(CCOc2c(-c3ccc4ncc(CNCc5ccccc5)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C
• InChI: InChI=1S/C33H37F2N5O2/c1-21-25(30(38-39(21)5)32(41)33(2,3)4)15-16-42-31-26(12-13-27(34)29(31)35)23-11-14-28-37-19-24(40(28)20-23)18-36-17-22-9-7-6-8-10-22/h6-14,19-20,32,36,41H,15-18H2,1-5H3
• InChIKey: YFRGCESUENIPTR-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 76.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.69
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

The IUPAC name of 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (CID 178168446) is 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.

What is the SMILES notation for 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

The canonical SMILES for 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is Cc1c(CCOc2c(-c3ccc4ncc(CNCc5ccccc5)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C)nn1C.

What is the InChIKey of 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

The InChIKey is YFRGCESUENIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F2N5O2/c1-21-25(30(38-39(21)5)32(41)33(2,3)4)15-16-42-31-26(12-13-27(34)29(31)35)23-11-14-28-37-19-24(40(28)20-23)18-36-17-22-9-7-6-8-10-22/h6-14,19-20,32,36,41H,15-18H2,1-5H3.

What are the key properties of 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?

1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 573.69 g/mol, XLogP of 6.31, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[6-[3-[(benzylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-2,3-difluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 178168446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).