(5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C28H24FN7O5 — CID 143989463

About (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 143989463) has the molecular formula C28H24FN7O5 and a molecular weight of 557.54 g/mol. Its IUPAC name is (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 143989463
• Molecular Formula: C28H24FN7O5
• Molecular Weight: 557.54 g/mol
• Exact Mass: 557.18
• IUPAC Name: (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N([C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C28H24FN7O5/c1-40-20-4-2-16-14-36(25(37)23(16)24(20)29)28(26(38)33-27(39)34-28)21-13-18-19(41-21)5-3-17(32-18)15-6-7-31-22(12-15)35-10-8-30-9-11-35/h2-7,12-13,30H,8-11,14H2,1H3,(H2,33,34,38,39)/t28-/m1/s1
• InChIKey: LCZMDHVJPRAOJN-MUUNZHRXSA-N
• XLogP: 2.10
• TPSA: 141.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.54
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 143989463) is (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N([C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is LCZMDHVJPRAOJN-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H24FN7O5/c1-40-20-4-2-16-14-36(25(37)23(16)24(20)29)28(26(38)33-27(39)34-28)21-13-18-19(41-21)5-3-17(32-18)15-6-7-31-22(12-15)35-10-8-30-9-11-35/h2-7,12-13,30H,8-11,14H2,1H3,(H2,33,34,38,39)/t28-/m1/s1.

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

(5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 557.54 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-5-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 143989463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).