(5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C26H21FN6O5 — CID 58053693

About (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 58053693) has the molecular formula C26H21FN6O5 and a molecular weight of 516.49 g/mol. Its IUPAC name is (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 58053693
• Molecular Formula: C26H21FN6O5
• Molecular Weight: 516.49 g/mol
• Exact Mass: 516.16
• IUPAC Name: (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C)c(-c5ccc(N)nc5)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C26H21FN6O5/c1-12-15(13-4-6-20(28)29-9-13)7-18-16(30-12)8-19(38-18)26(24(35)31-25(36)32-26)11-33-10-14-3-5-17(37-2)22(27)21(14)23(33)34/h3-9H,10-11H2,1-2H3,(H2,28,29)(H2,31,32,35,36)/t26-/m0/s1
• InChIKey: UYLSPQDDLNKCSB-SANMLTNESA-N
• XLogP: 2.62
• TPSA: 152.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.49
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
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-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 58053693) is (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C)c(-c5ccc(N)nc5)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is UYLSPQDDLNKCSB-SANMLTNESA-N. The full InChI is InChI=1S/C26H21FN6O5/c1-12-15(13-4-6-20(28)29-9-13)7-18-16(30-12)8-19(38-18)26(24(35)31-25(36)32-26)11-33-10-14-3-5-17(37-2)22(27)21(14)23(33)34/h3-9H,10-11H2,1-2H3,(H2,28,29)(H2,31,32,35,36)/t26-/m0/s1.

What are the key properties of (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 516.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[6-(6-amino-3-pyridinyl)-5-methylfuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).