N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine

C₂₃H₂₄F₂N₆ — CID 71559191

About N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine

N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine (PubChem CID 71559191) has the molecular formula C₂₃H₂₄F₂N₆ and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine.

Molecular Properties

• Compound Name: N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine
• PubChem CID: 71559191
• Molecular Formula: C₂₃H₂₄F₂N₆
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.20
• IUPAC Name: N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine
• SMILES: CC(C)NCCn1/c(=N/c2c(F)cccc2F)ccc2ncc(-c3cnn(C)c3)cc21
• InChI: InChI=1S/C23H24F2N6/c1-15(2)26-9-10-31-21-11-16(17-13-28-30(3)14-17)12-27-20(21)7-8-22(31)29-23-18(24)5-4-6-19(23)25/h4-8,11-15,26H,9-10H2,1-3H3/b29-22+
• InChIKey: AKWOFMQLXKIAMX-QUPMIFSKSA-N
• XLogP: 3.95
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?

The IUPAC name of N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine (CID 71559191) is N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine.

What is the SMILES notation for N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?

The canonical SMILES for N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine is CC(C)NCCn1/c(=N/c2c(F)cccc2F)ccc2ncc(-c3cnn(C)c3)cc21.

What is the InChIKey of N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?

The InChIKey is AKWOFMQLXKIAMX-QUPMIFSKSA-N. The full InChI is InChI=1S/C23H24F2N6/c1-15(2)26-9-10-31-21-11-16(17-13-28-30(3)14-17)12-27-20(21)7-8-22(31)29-23-18(24)5-4-6-19(23)25/h4-8,11-15,26H,9-10H2,1-3H3/b29-22+.

What are the key properties of N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine?

N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine has a molecular weight of 422.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2,6-difluorophenyl)imino-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 71559191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71559191 — identifiers, structure, computed properties (public domain)

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