[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C26H30F6N6O6 — CID 155869233

About [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155869233) has the molecular formula C26H30F6N6O6 and a molecular weight of 636.55 g/mol. Its IUPAC name is [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155869233
• Molecular Formula: C26H30F6N6O6
• Molecular Weight: 636.55 g/mol
• Exact Mass: 636.21
• IUPAC Name: [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCCN(C)c1nc(C2CCN(C(=O)c3ccncc3)CC2)cc2c1ncn2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H28N6O2.2C2HF3O2/c1-26(12-13-30-3)21-20-19(27(2)15-24-20)14-18(25-21)16-6-10-28(11-7-16)22(29)17-4-8-23-9-5-17;2*3-2(4,5)1(6)7/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3;2*(H,6,7)
• InChIKey: XGNXEGTUXYYOOR-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 150.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.55
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 155869233) is [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is COCCN(C)c1nc(C2CCN(C(=O)c3ccncc3)CC2)cc2c1ncn2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is XGNXEGTUXYYOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2.2C2HF3O2/c1-26(12-13-30-3)21-20-19(27(2)15-24-20)14-18(25-21)16-6-10-28(11-7-16)22(29)17-4-8-23-9-5-17;2*3-2(4,5)1(6)7/h4-5,8-9,14-16H,6-7,10-13H2,1-3H3;2*(H,6,7).

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

[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 636.55 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155869233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).