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

C24H22N6O6 — CID 46200761

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 46200761) has the molecular formula C24H22N6O6 and a molecular weight of 490.48 g/mol. Its IUPAC name is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)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-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 46200761
• Molecular Formula: C24H22N6O6
• Molecular Weight: 490.48 g/mol
• Exact Mass: 490.16
• IUPAC Name: (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N5CCCNC5=O)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H22N6O6/c1-35-14-4-3-13-11-29(20(31)15(13)9-14)12-24(21(32)27-22(33)28-24)18-10-16-17(36-18)5-6-19(26-16)30-8-2-7-25-23(30)34/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,25,34)(H2,27,28,32,33)/t24-/m0/s1
• InChIKey: AGCLFEDOKWXYOF-DEOSSOPVSA-N
• XLogP: 1.45
• TPSA: 146.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.48
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'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-(2-oxo-1,3-diazinan-1-yl)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-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 46200761) is (5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)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-(2-oxo-1,3-diazinan-1-yl)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-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N5CCCNC5=O)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is AGCLFEDOKWXYOF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22N6O6/c1-35-14-4-3-13-11-29(20(31)15(13)9-14)12-24(21(32)27-22(33)28-24)18-10-16-17(36-18)5-6-19(26-16)30-8-2-7-25-23(30)34/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,25,34)(H2,27,28,32,33)/t24-/m0/s1.

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

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 490.48 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).