N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide

C26H31F3N6O — CID 178011136

About N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide

N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide (PubChem CID 178011136) has the molecular formula C26H31F3N6O and a molecular weight of 500.57 g/mol. Its IUPAC name is N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide
• PubChem CID: 178011136
• Molecular Formula: C26H31F3N6O
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.25
• IUPAC Name: N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide
• SMILES: C=Cc1c(C(=C)NC2CCN(C)CC2)cc(/C=C/CNC(=O)c2ccn(C)n2)nc1C(=C)C(F)(F)F
• InChI: InChI=1S/C26H31F3N6O/c1-6-21-22(18(3)31-19-9-13-34(4)14-10-19)16-20(32-24(21)17(2)26(27,28)29)8-7-12-30-25(36)23-11-15-35(5)33-23/h6-8,11,15-16,19,31H,1-3,9-10,12-14H2,4-5H3,(H,30,36)/b8-7+
• InChIKey: LEVFVQZRIPAULY-BQYQJAHWSA-N
• XLogP: 4.13
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide?

The IUPAC name of N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide (CID 178011136) is N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide is C=Cc1c(C(=C)NC2CCN(C)CC2)cc(/C=C/CNC(=O)c2ccn(C)n2)nc1C(=C)C(F)(F)F.

What is the InChIKey of N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide?

The InChIKey is LEVFVQZRIPAULY-BQYQJAHWSA-N. The full InChI is InChI=1S/C26H31F3N6O/c1-6-21-22(18(3)31-19-9-13-34(4)14-10-19)16-20(32-24(21)17(2)26(27,28)29)8-7-12-30-25(36)23-11-15-35(5)33-23/h6-8,11,15-16,19,31H,1-3,9-10,12-14H2,4-5H3,(H,30,36)/b8-7+.

What are the key properties of N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide?

N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 500.57 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-3-[5-ethenyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethenyl]-6-(3,3,3-trifluoroprop-1-en-2-yl)-2-pyridinyl]prop-2-enyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 178011136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).