2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

C24H20F3N3O7 — CID 68782695

About 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid

2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 68782695) has the molecular formula C24H20F3N3O7 and a molecular weight of 519.43 g/mol. Its IUPAC name is 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
• PubChem CID: 68782695
• Molecular Formula: C24H20F3N3O7
• Molecular Weight: 519.43 g/mol
• Exact Mass: 519.13
• IUPAC Name: 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid
• SMILES: O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccnc3-c3ccccc3OCC(F)(F)F)c1=O)COC2
• InChI: InChI=1S/C24H20F3N3O7/c25-24(26,27)12-37-17-6-2-1-5-14(17)20-13(4-3-7-28-20)9-30-16-11-36-10-15(16)21(33)19(23(30)35)22(34)29-8-18(31)32/h1-7,33H,8-12H2,(H,29,34)(H,31,32)
• InChIKey: PGXMGQKWFNPNRB-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 139.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.43
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?

The IUPAC name of 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid (CID 68782695) is 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid.

What is the SMILES notation for 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?

The canonical SMILES for 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c2c(n(Cc3cccnc3-c3ccccc3OCC(F)(F)F)c1=O)COC2.

What is the InChIKey of 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?

The InChIKey is PGXMGQKWFNPNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O7/c25-24(26,27)12-37-17-6-2-1-5-14(17)20-13(4-3-7-28-20)9-30-16-11-36-10-15(16)21(33)19(23(30)35)22(34)29-8-18(31)32/h1-7,33H,8-12H2,(H,29,34)(H,31,32).

What are the key properties of 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid?

2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 519.43 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-hydroxy-2-oxo-1-[[2-[2-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]methyl]-5,7-dihydrofuro[3,4-b]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 68782695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).