5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane

C28H36N8 — CID 142333474

About 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane

5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane (PubChem CID 142333474) has the molecular formula C28H36N8 and a molecular weight of 484.65 g/mol. Its IUPAC name is 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane.

Molecular Properties

• Compound Name: 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane
• PubChem CID: 142333474
• Molecular Formula: C28H36N8
• Molecular Weight: 484.65 g/mol
• Exact Mass: 484.31
• IUPAC Name: 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane
• SMILES: C=C(Nc1ccc(NCCC)nc1)c1n[nH]c2ccc(-c3cncc(NC(=C)N(C)C)c3)cc12.CC
• InChI: InChI=1S/C26H30N8.C2H6/c1-6-11-28-25-10-8-21(16-29-25)30-17(2)26-23-13-19(7-9-24(23)32-33-26)20-12-22(15-27-14-20)31-18(3)34(4)5;1-2/h7-10,12-16,30-31H,2-3,6,11H2,1,4-5H3,(H,28,29)(H,32,33);1-2H3
• InChIKey: WGXYHFUZXMBJGX-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 93.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.65
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane?

The IUPAC name of 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane (CID 142333474) is 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane.

What is the SMILES notation for 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane?

The canonical SMILES for 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane is C=C(Nc1ccc(NCCC)nc1)c1n[nH]c2ccc(-c3cncc(NC(=C)N(C)C)c3)cc12.CC.

What is the InChIKey of 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane?

The InChIKey is WGXYHFUZXMBJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8.C2H6/c1-6-11-28-25-10-8-21(16-29-25)30-17(2)26-23-13-19(7-9-24(23)32-33-26)20-12-22(15-27-14-20)31-18(3)34(4)5;1-2/h7-10,12-16,30-31H,2-3,6,11H2,1,4-5H3,(H,28,29)(H,32,33);1-2H3.

What are the key properties of 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane?

5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane has a molecular weight of 484.65 g/mol, XLogP of 6.40, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[1-[5-[5-[1-(dimethylamino)ethenylamino]-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-2-N-propylpyridine-2,5-diamine;ethane is sourced from PubChem (CID 142333474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).