methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate

C24H23N3O7 — CID 70235092

About methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate

methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate (PubChem CID 70235092) has the molecular formula C24H23N3O7 and a molecular weight of 465.46 g/mol. Its IUPAC name is methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate
• PubChem CID: 70235092
• Molecular Formula: C24H23N3O7
• Molecular Weight: 465.46 g/mol
• Exact Mass: 465.15
• IUPAC Name: methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate
• SMILES: COC(=O)c1ccc2oc([C@@](C)(CN3Cc4ccc(OC)cc4C3=O)C(=O)NC(C)=O)cc2n1
• InChI: InChI=1S/C24H23N3O7/c1-13(28)25-23(31)24(2,12-27-11-14-5-6-15(32-3)9-16(14)21(27)29)20-10-18-19(34-20)8-7-17(26-18)22(30)33-4/h5-10H,11-12H2,1-4H3,(H,25,28,31)/t24-/m1/s1
• InChIKey: YHHLWHAYUTUYIL-XMMPIXPASA-N
• XLogP: 2.20
• TPSA: 128.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.46
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate?

The IUPAC name of methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate (CID 70235092) is methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate.

What is the SMILES notation for methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate?

The canonical SMILES for methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate is COC(=O)c1ccc2oc([C@@](C)(CN3Cc4ccc(OC)cc4C3=O)C(=O)NC(C)=O)cc2n1.

What is the InChIKey of methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate?

The InChIKey is YHHLWHAYUTUYIL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23N3O7/c1-13(28)25-23(31)24(2,12-27-11-14-5-6-15(32-3)9-16(14)21(27)29)20-10-18-19(34-20)8-7-17(26-18)22(30)33-4/h5-10H,11-12H2,1-4H3,(H,25,28,31)/t24-/m1/s1.

What are the key properties of methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate?

methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate has a molecular weight of 465.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2R)-1-acetamido-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-1-oxopropan-2-yl]furo[3,2-b]pyridine-5-carboxylate is sourced from PubChem (CID 70235092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).