7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C26H34N8O — CID 147983599

About 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 147983599) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

• Compound Name: 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• PubChem CID: 147983599
• Molecular Formula: C26H34N8O
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.29
• IUPAC Name: 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
• SMILES: CC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCOC4CN(C(C)C)C4)cc3n2)c1
• InChI: InChI=1S/C26H34N8O/c1-17(2)19-10-26(33-30-14-19)32-25-6-5-23-24(31-25)9-20(13-29-23)21(11-27)12-28-7-8-35-22-15-34(16-22)18(3)4/h5-6,9-14,17-18,22H,7-8,15-16,27H2,1-4H3,(H,31,32,33)/b21-11?,28-12+
• InChIKey: RKHQZECJYUZNHV-YGMCTFSTSA-N
• XLogP: 3.77
• TPSA: 114.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The IUPAC name of 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 147983599) is 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

What is the SMILES notation for 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The canonical SMILES for 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is CC(C)c1cnnc(Nc2ccc3ncc(C(=CN)/C=N/CCOC4CN(C(C)C)C4)cc3n2)c1.

What is the InChIKey of 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

The InChIKey is RKHQZECJYUZNHV-YGMCTFSTSA-N. The full InChI is InChI=1S/C26H34N8O/c1-17(2)19-10-26(33-30-14-19)32-25-6-5-23-24(31-25)9-20(13-29-23)21(11-27)12-28-7-8-35-22-15-34(16-22)18(3)4/h5-6,9-14,17-18,22H,7-8,15-16,27H2,1-4H3,(H,31,32,33)/b21-11?,28-12+.

What are the key properties of 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?

7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 474.61 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-amino-3-[2-(1-propan-2-ylazetidin-3-yl)oxyethylimino]prop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 147983599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).