(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C28H27FN6O5 — CID 143989395

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 143989395) has the molecular formula C28H27FN6O5 and a molecular weight of 546.56 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 143989395
• Molecular Formula: C28H27FN6O5
• Molecular Weight: 546.56 g/mol
• Exact Mass: 546.20
• IUPAC Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Cc5c(C)nn(C)c5C)cc(C)c4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C28H27FN6O5/c1-13-8-17(9-18-14(2)33-34(4)15(18)3)30-19-10-21(40-24(13)19)28(26(37)31-27(38)32-28)12-35-11-16-6-7-20(39-5)23(29)22(16)25(35)36/h6-8,10H,9,11-12H2,1-5H3,(H2,31,32,37,38)/t28-/m0/s1
• InChIKey: FZCSZNBFHGLFIY-NDEPHWFRSA-N
• XLogP: 2.92
• TPSA: 131.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.56
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 143989395) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(Cc5c(C)nn(C)c5C)cc(C)c4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is FZCSZNBFHGLFIY-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H27FN6O5/c1-13-8-17(9-18-14(2)33-34(4)15(18)3)30-19-10-21(40-24(13)19)28(26(37)31-27(38)32-28)12-35-11-16-6-7-20(39-5)23(29)22(16)25(35)36/h6-8,10H,9,11-12H2,1-5H3,(H2,31,32,37,38)/t28-/m0/s1.

What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 546.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[7-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143989395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).