2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)

C24H27F6N3O7 — CID 155855720

About 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)

2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155855720) has the molecular formula C24H27F6N3O7 and a molecular weight of 583.48 g/mol. Its IUPAC name is 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155855720
• Molecular Formula: C24H27F6N3O7
• Molecular Weight: 583.48 g/mol
• Exact Mass: 583.18
• IUPAC Name: 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H25N3O3.2C2HF3O2/c1-14-5-6-17(25-14)12-23-11-15-8-18(26-19(15)13-23)9-20(24)22-10-16-4-2-3-7-21-16;2*3-2(4,5)1(6)7/h2-7,15,18-19H,8-13H2,1H3,(H,22,24);2*(H,6,7)/t15-,18+,19+;;/m0../s1
• InChIKey: IKNKBGPALYSBFH-YNGUGZHOSA-N
• XLogP: 3.55
• TPSA: 142.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.48
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid) (CID 155855720) is 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid) is Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is IKNKBGPALYSBFH-YNGUGZHOSA-N. The full InChI is InChI=1S/C20H25N3O3.2C2HF3O2/c1-14-5-6-17(25-14)12-23-11-15-8-18(26-19(15)13-23)9-20(24)22-10-16-4-2-3-7-21-16;2*3-2(4,5)1(6)7/h2-7,15,18-19H,8-13H2,1H3,(H,22,24);2*(H,6,7)/t15-,18+,19+;;/m0../s1.

What are the key properties of 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)?

2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 583.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155855720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).