6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine

C23H24F3N7 — CID 155010035

About 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine

6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine (PubChem CID 155010035) has the molecular formula C23H24F3N7 and a molecular weight of 455.49 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
• PubChem CID: 155010035
• Molecular Formula: C23H24F3N7
• Molecular Weight: 455.49 g/mol
• Exact Mass: 455.20
• IUPAC Name: 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine
• SMILES: C=C(Nc1cn[nH]c1C(=C)Nc1ccc(N2CCCCC2)nc1)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C23H24F3N7/c1-15(17-6-8-20(27-12-17)23(24,25)26)31-19-14-29-32-22(19)16(2)30-18-7-9-21(28-13-18)33-10-4-3-5-11-33/h6-9,12-14,30-31H,1-5,10-11H2,(H,29,32)
• InChIKey: FWBKHNRYJDDFCS-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 81.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.49
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?

The IUPAC name of 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine (CID 155010035) is 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine.

What is the SMILES notation for 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?

The canonical SMILES for 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine is C=C(Nc1cn[nH]c1C(=C)Nc1ccc(N2CCCCC2)nc1)c1ccc(C(F)(F)F)nc1.

What is the InChIKey of 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?

The InChIKey is FWBKHNRYJDDFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7/c1-15(17-6-8-20(27-12-17)23(24,25)26)31-19-14-29-32-22(19)16(2)30-18-7-9-21(28-13-18)33-10-4-3-5-11-33/h6-9,12-14,30-31H,1-5,10-11H2,(H,29,32).

What are the key properties of 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine?

6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine has a molecular weight of 455.49 g/mol, XLogP of 5.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-piperidin-1-yl-N-[1-[4-[1-[6-(trifluoromethyl)-3-pyridinyl]ethenylamino]-1H-pyrazol-5-yl]ethenyl]pyridin-3-amine is sourced from PubChem (CID 155010035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).