N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid

C27H24F6N4O3 — CID 23120533

About N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid

N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 23120533) has the molecular formula C27H24F6N4O3 and a molecular weight of 566.50 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 23120533
• Molecular Formula: C27H24F6N4O3
• Molecular Weight: 566.50 g/mol
• Exact Mass: 566.18
• IUPAC Name: N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1c(CN(C)C)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H23F3N4O.C2HF3O2/c1-16-22(15-31(2)3)30-23-13-12-21(14-32(16)23)29-24(33)19-6-4-17(5-7-19)18-8-10-20(11-9-18)25(26,27)28;3-2(4,5)1(6)7/h4-14H,15H2,1-3H3,(H,29,33);(H,6,7)
• InChIKey: XNPMVLUPXUJAPI-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 86.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.50
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid (CID 23120533) is N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid is Cc1c(CN(C)C)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn12.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?

The InChIKey is XNPMVLUPXUJAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O.C2HF3O2/c1-16-22(15-31(2)3)30-23-13-12-21(14-32(16)23)29-24(33)19-6-4-17(5-7-19)18-8-10-20(11-9-18)25(26,27)28;3-2(4,5)1(6)7/h4-14H,15H2,1-3H3,(H,29,33);(H,6,7).

What are the key properties of N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid?

N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 566.50 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(dimethylamino)methyl]-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23120533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).