furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

C23H28F3N5O5 — CID 155841127

About furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155841127) has the molecular formula C23H28F3N5O5 and a molecular weight of 511.50 g/mol. Its IUPAC name is furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155841127
• Molecular Formula: C23H28F3N5O5
• Molecular Weight: 511.50 g/mol
• Exact Mass: 511.20
• IUPAC Name: furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: COCCN(C)c1nc(C2CCN(C(=O)c3ccoc3)CC2)cc2c1ncn2C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H27N5O3.C2HF3O2/c1-24(9-11-28-3)20-19-18(25(2)14-22-19)12-17(23-20)15-4-7-26(8-5-15)21(27)16-6-10-29-13-16;3-2(4,5)1(6)7/h6,10,12-15H,4-5,7-9,11H2,1-3H3;(H,6,7)
• InChIKey: JPTYFKBGIILWAI-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 113.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.50
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 155841127) is furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is COCCN(C)c1nc(C2CCN(C(=O)c3ccoc3)CC2)cc2c1ncn2C.O=C(O)C(F)(F)F.

What is the InChIKey of furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is JPTYFKBGIILWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3.C2HF3O2/c1-24(9-11-28-3)20-19-18(25(2)14-22-19)12-17(23-20)15-4-7-26(8-5-15)21(27)16-6-10-29-13-16;3-2(4,5)1(6)7/h6,10,12-15H,4-5,7-9,11H2,1-3H3;(H,6,7).

What are the key properties of furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?

furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 511.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).