1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone

C23H24F3N7O2 — CID 155770078

IUPAC1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cn2)CC1
InChIInChI=1S/C23H24F3N7O2/c1-16(34)32-8-10-33(11-9-32)21-6-3-17(13-29-21)12-28-20-5-7-22(31-30-20)35-15-18-2-4-19(27-14-18)23(24,25)26/h2-7,13-14H,8-12,15H2,1H3,(H,28,30)
InChIKeyAYNANWRWLAYDOM-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.14
Rot. Bonds7

About 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 155770078) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID155770078
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC Name1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cn2)CC1
InChIInChI=1S/C23H24F3N7O2/c1-16(34)32-8-10-33(11-9-32)21-6-3-17(13-29-21)12-28-20-5-7-22(31-30-20)35-15-18-2-4-19(27-14-18)23(24,25)26/h2-7,13-14H,8-12,15H2,1H3,(H,28,30)
InChIKeyAYNANWRWLAYDOM-UHFFFAOYSA-N
XLogP3.14
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 155770078) is 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(CNc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cn2)CC1.
What is the InChIKey of 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is AYNANWRWLAYDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-16(34)32-8-10-33(11-9-32)21-6-3-17(13-29-21)12-28-20-5-7-22(31-30-20)35-15-18-2-4-19(27-14-18)23(24,25)26/h2-7,13-14H,8-12,15H2,1H3,(H,28,30).
What are the key properties of 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 487.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155770078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).