5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

C30H32N6O6 — CID 143989226

About 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one

5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one (PubChem CID 143989226) has the molecular formula C30H32N6O6 and a molecular weight of 572.62 g/mol. Its IUPAC name is 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
• PubChem CID: 143989226
• Molecular Formula: C30H32N6O6
• Molecular Weight: 572.62 g/mol
• Exact Mass: 572.24
• IUPAC Name: 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one
• SMILES: COc1ccc2c(c1)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3nc(N(CCO)CCCc4ccccn4)ccc3o2)N1
• InChI: InChI=1S/C20H21N5O4.C10H11NO2/c26-11-10-25(9-3-5-13-4-1-2-8-21-13)17-7-6-15-14(22-17)12-16(29-15)18-19(27)24-20(28)23-18;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-2,4,6-8,12,18,26H,3,5,9-11H2,(H2,23,24,27,28);3-5H,6H2,1-2H3
• InChIKey: NDIIJHLUONHYEJ-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 150.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.62
LogP ≤ 5	2.82
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 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

The IUPAC name of 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one (CID 143989226) is 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one.

What is the SMILES notation for 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

The canonical SMILES for 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is COc1ccc2c(c1)C(=O)N(C)C2.O=C1NC(=O)C(c2cc3nc(N(CCO)CCCc4ccccn4)ccc3o2)N1.

What is the InChIKey of 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

The InChIKey is NDIIJHLUONHYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4.C10H11NO2/c26-11-10-25(9-3-5-13-4-1-2-8-21-13)17-7-6-15-14(22-17)12-16(29-15)18-19(27)24-20(28)23-18;1-11-6-7-3-4-8(13-2)5-9(7)10(11)12/h1-2,4,6-8,12,18,26H,3,5,9-11H2,(H2,23,24,27,28);3-5H,6H2,1-2H3.

What are the key properties of 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one?

5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one has a molecular weight of 572.62 g/mol, XLogP of 2.82, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-hydroxyethyl(3-pyridin-2-ylpropyl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;6-methoxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 143989226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).