N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide

C24H22FN5O6 — CID 88582074

About N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide

N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide (PubChem CID 88582074) has the molecular formula C24H22FN5O6 and a molecular weight of 495.47 g/mol. Its IUPAC name is N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide.

Molecular Properties

• Compound Name: N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide
• PubChem CID: 88582074
• Molecular Formula: C24H22FN5O6
• Molecular Weight: 495.47 g/mol
• Exact Mass: 495.16
• IUPAC Name: N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@](C)(NC(=O)NC=O)c1cc3nc(N4CCC4=O)ccc3o1)C2
• InChI: InChI=1S/C24H22FN5O6/c1-24(28-23(34)26-12-31,11-29-10-13-3-4-16(35-2)21(25)20(13)22(29)33)17-9-14-15(36-17)5-6-18(27-14)30-8-7-19(30)32/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,26,28,31,34)/t24-/m0/s1
• InChIKey: FGWDHZUUSYSEFH-DEOSSOPVSA-N
• XLogP: 2.04
• TPSA: 134.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.47
LogP ≤ 5	2.04
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 N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide?

The IUPAC name of N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide (CID 88582074) is N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide.

What is the SMILES notation for N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide?

The canonical SMILES for N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide is COc1ccc2c(c1F)C(=O)N(C[C@](C)(NC(=O)NC=O)c1cc3nc(N4CCC4=O)ccc3o1)C2.

What is the InChIKey of N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide?

The InChIKey is FGWDHZUUSYSEFH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22FN5O6/c1-24(28-23(34)26-12-31,11-29-10-13-3-4-16(35-2)21(25)20(13)22(29)33)17-9-14-15(36-17)5-6-18(27-14)30-8-7-19(30)32/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,26,28,31,34)/t24-/m0/s1.

What are the key properties of N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide?

N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide has a molecular weight of 495.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-1-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-2-[5-(2-oxoazetidin-1-yl)furo[3,2-b]pyridin-2-yl]propan-2-yl]carbamoyl]formamide is sourced from PubChem (CID 88582074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).