3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C28H25FN4OS — CID 88912507

About 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 88912507) has the molecular formula C28H25FN4OS and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 88912507
• Molecular Formula: C28H25FN4OS
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.17
• IUPAC Name: 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
• SMILES: Cc1cc(-c2ncn3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nccs4)ccc23)ccc1F
• InChI: InChI=1S/C28H25FN4OS/c1-18-15-20(9-11-22(18)29)25-23-12-10-21(16-33(23)17-31-25)24(19-7-5-4-6-8-19)28(2,3)26(34)32-27-30-13-14-35-27/h4-17,24H,1-3H3,(H,30,32,34)
• InChIKey: BEUSUIVCNRSJAX-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 88912507) is 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(-c2ncn3cc(C(c4ccccc4)C(C)(C)C(=O)Nc4nccs4)ccc23)ccc1F.

What is the InChIKey of 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is BEUSUIVCNRSJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4OS/c1-18-15-20(9-11-22(18)29)25-23-12-10-21(16-33(23)17-31-25)24(19-7-5-4-6-8-19)28(2,3)26(34)32-27-30-13-14-35-27/h4-17,24H,1-3H3,(H,30,32,34).

What are the key properties of 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?

3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 484.60 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-fluoro-3-methylphenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88912507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).