furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)

C25H27F6N5O6 — CID 155865559

About furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)

furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155865559) has the molecular formula C25H27F6N5O6 and a molecular weight of 607.51 g/mol. Its IUPAC name is furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155865559
• Molecular Formula: C25H27F6N5O6
• Molecular Weight: 607.51 g/mol
• Exact Mass: 607.19
• IUPAC Name: furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN1CCN(C(=O)c2ccco2)CC1c1cn2c(N3CCCC3)cccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H25N5O2.2C2HF3O2/c1-23-11-12-25(21(27)18-6-5-13-28-18)15-17(23)16-14-26-19(22-16)7-4-8-20(26)24-9-2-3-10-24;2*3-2(4,5)1(6)7/h4-8,13-14,17H,2-3,9-12,15H2,1H3;2*(H,6,7)
• InChIKey: CDNCWECWPSVCOW-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 131.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.51
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) (CID 155865559) is furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) is CN1CCN(C(=O)c2ccco2)CC1c1cn2c(N3CCCC3)cccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is CDNCWECWPSVCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.2C2HF3O2/c1-23-11-12-25(21(27)18-6-5-13-28-18)15-17(23)16-14-26-19(22-16)7-4-8-20(26)24-9-2-3-10-24;2*3-2(4,5)1(6)7/h4-8,13-14,17H,2-3,9-12,15H2,1H3;2*(H,6,7).

What are the key properties of furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)?

furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 607.51 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155865559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).