4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one

C28H25F2N3O2S — CID 153129807

About 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one

4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one (PubChem CID 153129807) has the molecular formula C28H25F2N3O2S and a molecular weight of 505.59 g/mol. Its IUPAC name is 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
• PubChem CID: 153129807
• Molecular Formula: C28H25F2N3O2S
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.16
• IUPAC Name: 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(N)c3csc4ccccc34)n2c1
• InChI: InChI=1S/C28H25F2N3O2S/c1-16-12-25(35-14-19-21(29)7-5-8-22(19)30)28-32-17(2)27(33(28)13-16)24(34)11-10-23(31)20-15-36-26-9-4-3-6-18(20)26/h3-9,12-13,15,23H,10-11,14,31H2,1-2H3
• InChIKey: VWMWNRNZJGPROC-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

The IUPAC name of 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one (CID 153129807) is 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one.

What is the SMILES notation for 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

The canonical SMILES for 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)CCC(N)c3csc4ccccc34)n2c1.

What is the InChIKey of 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

The InChIKey is VWMWNRNZJGPROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N3O2S/c1-16-12-25(35-14-19-21(29)7-5-8-22(19)30)28-32-17(2)27(33(28)13-16)24(34)11-10-23(31)20-15-36-26-9-4-3-6-18(20)26/h3-9,12-13,15,23H,10-11,14,31H2,1-2H3.

What are the key properties of 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one?

4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one has a molecular weight of 505.59 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one is sourced from PubChem (CID 153129807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).