N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine

C25H24F3N7 — CID 144929351

About N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 144929351) has the molecular formula C25H24F3N7 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine
• PubChem CID: 144929351
• Molecular Formula: C25H24F3N7
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.20
• IUPAC Name: N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine
• SMILES: C=C(Nc1cnc(C(F)(F)F)cn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
• InChI: InChI=1S/C25H24F3N7/c1-16(32-23-14-30-22(13-31-23)25(26,27)28)24-20-10-18(5-6-21(20)33-34-24)19-9-17(11-29-12-19)15-35-7-3-2-4-8-35/h5-6,9-14H,1-4,7-8,15H2,(H,31,32)(H,33,34)
• InChIKey: XJXUSPRYKZYPCB-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine?

The IUPAC name of N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 144929351) is N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine.

What is the SMILES notation for N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine?

The canonical SMILES for N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine is C=C(Nc1cnc(C(F)(F)F)cn1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.

What is the InChIKey of N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine?

The InChIKey is XJXUSPRYKZYPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7/c1-16(32-23-14-30-22(13-31-23)25(26,27)28)24-20-10-18(5-6-21(20)33-34-24)19-9-17(11-29-12-19)15-35-7-3-2-4-8-35/h5-6,9-14H,1-4,7-8,15H2,(H,31,32)(H,33,34).

What are the key properties of N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine?

N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 479.51 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 144929351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).