3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde

C24H20F4N4O3 — CID 176567546

About 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde

3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde (PubChem CID 176567546) has the molecular formula C24H20F4N4O3 and a molecular weight of 488.44 g/mol. Its IUPAC name is 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde
• PubChem CID: 176567546
• Molecular Formula: C24H20F4N4O3
• Molecular Weight: 488.44 g/mol
• Exact Mass: 488.15
• IUPAC Name: 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde
• SMILES: CNc1cc(F)c(Oc2ccnc3cc(OCCCF)cnc23)c(F)c1.O=Cc1cnccc1F
• InChI: InChI=1S/C18H16F3N3O2.C6H4FNO/c1-22-11-7-13(20)18(14(21)8-11)26-16-3-5-23-15-9-12(10-24-17(15)16)25-6-2-4-19;7-6-1-2-8-3-5(6)4-9/h3,5,7-10,22H,2,4,6H2,1H3;1-4H
• InChIKey: WLACGCCXMISPHO-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.44
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde?

The IUPAC name of 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde (CID 176567546) is 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde.

What is the SMILES notation for 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde?

The canonical SMILES for 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde is CNc1cc(F)c(Oc2ccnc3cc(OCCCF)cnc23)c(F)c1.O=Cc1cnccc1F.

What is the InChIKey of 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde?

The InChIKey is WLACGCCXMISPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2.C6H4FNO/c1-22-11-7-13(20)18(14(21)8-11)26-16-3-5-23-15-9-12(10-24-17(15)16)25-6-2-4-19;7-6-1-2-8-3-5(6)4-9/h3,5,7-10,22H,2,4,6H2,1H3;1-4H.

What are the key properties of 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde?

3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde has a molecular weight of 488.44 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-4-[[7-(3-fluoropropoxy)-1,5-naphthyridin-4-yl]oxy]-N-methylaniline;4-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 176567546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).