[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid

C26H25F3N6O4 — CID 155825579

About [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid

[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155825579) has the molecular formula C26H25F3N6O4 and a molecular weight of 542.52 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155825579
• Molecular Formula: C26H25F3N6O4
• Molecular Weight: 542.52 g/mol
• Exact Mass: 542.19
• IUPAC Name: [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(-c2nc(C3CCN(C(=O)c4ccnnc4)CC3)cc3c2ncn3C)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H24N6O2.C2HF3O2/c1-29-15-25-23-21(29)13-20(28-22(23)17-3-5-19(32-2)6-4-17)16-8-11-30(12-9-16)24(31)18-7-10-26-27-14-18;3-2(4,5)1(6)7/h3-7,10,13-16H,8-9,11-12H2,1-2H3;(H,6,7)
• InChIKey: WMEKTUIWDGWFPU-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 123.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.52
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155825579) is [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid is COc1ccc(-c2nc(C3CCN(C(=O)c4ccnnc4)CC3)cc3c2ncn3C)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is WMEKTUIWDGWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C2HF3O2/c1-29-15-25-23-21(29)13-20(28-22(23)17-3-5-19(32-2)6-4-17)16-8-11-30(12-9-16)24(31)18-7-10-26-27-14-18;3-2(4,5)1(6)7/h3-7,10,13-16H,8-9,11-12H2,1-2H3;(H,6,7).

What are the key properties of [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid?

[4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 542.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(4-methoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).