(2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide

C23H23FN4O5 — CID 143990450

About (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide

(2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide (PubChem CID 143990450) has the molecular formula C23H23FN4O5 and a molecular weight of 454.46 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide
• PubChem CID: 143990450
• Molecular Formula: C23H23FN4O5
• Molecular Weight: 454.46 g/mol
• Exact Mass: 454.17
• IUPAC Name: (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide
• SMILES: CN[C@](Cc1cc2cc(C)ncc2o1)(CN1Cc2ccc(OC)c(F)c2C1=O)C(=O)NC=O
• InChI: InChI=1S/C23H23FN4O5/c1-13-6-15-7-16(33-18(15)9-26-13)8-23(25-2,22(31)27-12-29)11-28-10-14-4-5-17(32-3)20(24)19(14)21(28)30/h4-7,9,12,25H,8,10-11H2,1-3H3,(H,27,29,31)/t23-/m1/s1
• InChIKey: WNRWROVOTNYMLH-HSZRJFAPSA-N
• XLogP: 1.71
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.46
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide?

The IUPAC name of (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide (CID 143990450) is (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide.

What is the SMILES notation for (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide?

The canonical SMILES for (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide is CN[C@](Cc1cc2cc(C)ncc2o1)(CN1Cc2ccc(OC)c(F)c2C1=O)C(=O)NC=O.

What is the InChIKey of (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide?

The InChIKey is WNRWROVOTNYMLH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23FN4O5/c1-13-6-15-7-16(33-18(15)9-26-13)8-23(25-2,22(31)27-12-29)11-28-10-14-4-5-17(32-3)20(24)19(14)21(28)30/h4-7,9,12,25H,8,10-11H2,1-3H3,(H,27,29,31)/t23-/m1/s1.

What are the key properties of (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide?

(2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide has a molecular weight of 454.46 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-N-formyl-2-(methylamino)-3-(5-methylfuro[2,3-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 143990450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).