4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

C19H15F7N4O — CID 87377181

About 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide

4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 87377181) has the molecular formula C19H15F7N4O and a molecular weight of 448.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 87377181
• Molecular Formula: C19H15F7N4O
• Molecular Weight: 448.34 g/mol
• Exact Mass: 448.11
• IUPAC Name: 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(CC(=O)Nc1nc2ccc(F)cn2c1-c1cc(C(F)(F)F)ccn1)C(F)(F)F
• InChI: InChI=1S/C19H15F7N4O/c1-17(2,19(24,25)26)8-14(31)29-16-15(30-9-11(20)3-4-13(30)28-16)12-7-10(5-6-27-12)18(21,22)23/h3-7,9H,8H2,1-2H3,(H,29,31)
• InChIKey: BVXSQBGDDXGTEI-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.34
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide (CID 87377181) is 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(CC(=O)Nc1nc2ccc(F)cn2c1-c1cc(C(F)(F)F)ccn1)C(F)(F)F.

What is the InChIKey of 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?

The InChIKey is BVXSQBGDDXGTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F7N4O/c1-17(2,19(24,25)26)8-14(31)29-16-15(30-9-11(20)3-4-13(30)28-16)12-7-10(5-6-27-12)18(21,22)23/h3-7,9H,8H2,1-2H3,(H,29,31).

What are the key properties of 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide?

4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 448.34 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 87377181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).