(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C25H26N6O5 — CID 70235435

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 70235435) has the molecular formula C25H26N6O5 and a molecular weight of 490.52 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 70235435
• Molecular Formula: C25H26N6O5
• Molecular Weight: 490.52 g/mol
• Exact Mass: 490.20
• IUPAC Name: (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: C=C(NCCNC)c1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2n1
• InChI: InChI=1S/C25H26N6O5/c1-14(27-9-8-26-2)18-6-7-20-19(28-18)11-21(36-20)25(23(33)29-24(34)30-25)13-31-12-15-4-5-16(35-3)10-17(15)22(31)32/h4-7,10-11,26-27H,1,8-9,12-13H2,2-3H3,(H2,29,30,33,34)/t25-/m0/s1
• InChIKey: DRTMYMVHPDAESA-VWLOTQADSA-N
• XLogP: 1.31
• TPSA: 137.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.52
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 70235435) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is C=C(NCCNC)c1ccc2oc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2n1.

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

The InChIKey is DRTMYMVHPDAESA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N6O5/c1-14(27-9-8-26-2)18-6-7-20-19(28-18)11-21(36-20)25(23(33)29-24(34)30-25)13-31-12-15-4-5-16(35-3)10-17(15)22(31)32/h4-7,10-11,26-27H,1,8-9,12-13H2,2-3H3,(H2,29,30,33,34)/t25-/m0/s1.

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 490.52 g/mol, XLogP of 1.31, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[1-[2-(methylamino)ethylamino]ethenyl]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 70235435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).