N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide

C23H16F7N5O3 — CID 134288867

About N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide

N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide (PubChem CID 134288867) has the molecular formula C23H16F7N5O3 and a molecular weight of 543.40 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide.

Molecular Properties

• Compound Name: N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide
• PubChem CID: 134288867
• Molecular Formula: C23H16F7N5O3
• Molecular Weight: 543.40 g/mol
• Exact Mass: 543.11
• IUPAC Name: N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide
• SMILES: N/N=N/C=N/CC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(C#Cc2ccc(C(O)C(F)(F)F)o2)cn1
• InChI: InChI=1S/C23H16F7N5O3/c24-14-3-6-16(17(25)9-14)21(37,11-32-12-34-35-31)22(26,27)19-8-2-13(10-33-19)1-4-15-5-7-18(38-15)20(36)23(28,29)30/h2-3,5-10,12,20,36-37H,11H2,(H2,31,32,34)
• InChIKey: YECUIOAUOFJLIF-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 129.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.40
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide?

The IUPAC name of N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide (CID 134288867) is N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide.

What is the SMILES notation for N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide?

The canonical SMILES for N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide is N/N=N/C=N/CC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(C#Cc2ccc(C(O)C(F)(F)F)o2)cn1.

What is the InChIKey of N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide?

The InChIKey is YECUIOAUOFJLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F7N5O3/c24-14-3-6-16(17(25)9-14)21(37,11-32-12-34-35-31)22(26,27)19-8-2-13(10-33-19)1-4-15-5-7-18(38-15)20(36)23(28,29)30/h2-3,5-10,12,20,36-37H,11H2,(H2,31,32,34).

What are the key properties of N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide?

N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide has a molecular weight of 543.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[2-[5-(2,2,2-trifluoro-1-hydroxyethyl)furan-2-yl]ethynyl]-2-pyridinyl]propyl]-N-hydrazinylidenemethanimidamide is sourced from PubChem (CID 134288867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).