N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide

C24H22N6O5 — CID 88582265

About N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide

N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide (PubChem CID 88582265) has the molecular formula C24H22N6O5 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide.

Molecular Properties

• Compound Name: N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide
• PubChem CID: 88582265
• Molecular Formula: C24H22N6O5
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.17
• IUPAC Name: N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@](C)(NC(=O)NC=O)c1cc3nc(-n4ccnc4)ccc3o1)C2
• InChI: InChI=1S/C24H22N6O5/c1-24(28-23(33)26-14-31,12-30-11-15-3-4-16(34-2)9-17(15)22(30)32)20-10-18-19(35-20)5-6-21(27-18)29-8-7-25-13-29/h3-10,13-14H,11-12H2,1-2H3,(H2,26,28,31,33)/t24-/m0/s1
• InChIKey: FDQYJTWRNHLBSC-DEOSSOPVSA-N
• XLogP: 2.35
• TPSA: 131.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

The IUPAC name of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide (CID 88582265) is N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide.

What is the SMILES notation for N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

The canonical SMILES for N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide is COc1ccc2c(c1)C(=O)N(C[C@](C)(NC(=O)NC=O)c1cc3nc(-n4ccnc4)ccc3o1)C2.

What is the InChIKey of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

The InChIKey is FDQYJTWRNHLBSC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22N6O5/c1-24(28-23(33)26-14-31,12-30-11-15-3-4-16(34-2)9-17(15)22(30)32)20-10-18-19(35-20)5-6-21(27-18)29-8-7-25-13-29/h3-10,13-14H,11-12H2,1-2H3,(H2,26,28,31,33)/t24-/m0/s1.

What are the key properties of N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide?

N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide has a molecular weight of 474.48 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-2-(5-imidazol-1-ylfuro[3,2-b]pyridin-2-yl)-1-(5-methoxy-3-oxo-1H-isoindol-2-yl)propan-2-yl]carbamoyl]formamide is sourced from PubChem (CID 88582265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).