1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C26H28F3N7O2 — CID 155770110

IUPAC1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cn1)C2
InChIInChI=1S/C26H28F3N7O2/c1-18(37)35-10-8-25(9-11-35)16-36(17-25)23-6-3-19(13-32-23)12-31-22-5-7-24(34-33-22)38-15-20-2-4-21(30-14-20)26(27,28)29/h2-7,13-14H,8-12,15-17H2,1H3,(H,31,33)
InChIKeyZOVXGQLJYQFXKX-UHFFFAOYSA-N
MW527.55 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 155770110) has the molecular formula C26H28F3N7O2 and a molecular weight of 527.55 g/mol. Its IUPAC name is 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID155770110
Molecular FormulaC26H28F3N7O2
Molecular Weight527.55 g/mol
Exact Mass527.23
IUPAC Name1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(c1ccc(CNc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cn1)C2
InChIInChI=1S/C26H28F3N7O2/c1-18(37)35-10-8-25(9-11-35)16-36(17-25)23-6-3-19(13-32-23)12-31-22-5-7-24(34-33-22)38-15-20-2-4-21(30-14-20)26(27,28)29/h2-7,13-14H,8-12,15-17H2,1H3,(H,31,33)
InChIKeyZOVXGQLJYQFXKX-UHFFFAOYSA-N
XLogP3.93
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 155770110) is 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is CC(=O)N1CCC2(CC1)CN(c1ccc(CNc3ccc(OCc4ccc(C(F)(F)F)nc4)nn3)cn1)C2.
What is the InChIKey of 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is ZOVXGQLJYQFXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N7O2/c1-18(37)35-10-8-25(9-11-35)16-36(17-25)23-6-3-19(13-32-23)12-31-22-5-7-24(34-33-22)38-15-20-2-4-21(30-14-20)26(27,28)29/h2-7,13-14H,8-12,15-17H2,1H3,(H,31,33).
What are the key properties of 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 527.55 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 155770110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).