2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

C25H28FN5O3 — CID 42407410

IUPAC2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCC(OCc3ccccn3)CC2)nn1
InChIInChI=1S/C25H28FN5O3/c1-30(16-19-5-7-20(26)8-6-19)23-9-10-24(29-28-23)34-18-25(32)31-14-11-22(12-15-31)33-17-21-4-2-3-13-27-21/h2-10,13,22H,11-12,14-18H2,1H3
InChIKeyVDVSPYXTRQZTJV-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.23
Rot. Bonds9

About 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 42407410) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID42407410
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
SMILESCN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCC(OCc3ccccn3)CC2)nn1
InChIInChI=1S/C25H28FN5O3/c1-30(16-19-5-7-20(26)8-6-19)23-9-10-24(29-28-23)34-18-25(32)31-14-11-22(12-15-31)33-17-21-4-2-3-13-27-21/h2-10,13,22H,11-12,14-18H2,1H3
InChIKeyVDVSPYXTRQZTJV-UHFFFAOYSA-N
XLogP3.23
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone with MolForge

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Related Compounds

US11104665, Example 2.1
CID 146503251
US11104665, Example 2.3
CID 146538562
US11104665, Example 1.5
CID 146538582
1-[4-[4-[(1S)-1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]ethyl]phenyl]piperazin-1-yl]ethanone
CID 155587423
1-[4-[2-Fluoro-4-[1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]cyclopropyl]phenyl]piperazin-1-yl]ethanone
CID 155587426
1-[4-[4-[1-[[6-[[6-(Trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]cyclopropyl]phenyl]piperazin-1-yl]ethanone
CID 155587433
1-[4-[4-[(1R)-1-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]ethyl]phenyl]piperazin-1-yl]ethanone
CID 155587437
1-[4-[4-[1-[[6-[[6-(Trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]ethyl]phenyl]piperazin-1-yl]ethanone
CID 155587445
1-[4-[4-[[[6-[[6-(Difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-2-fluorophenyl]piperazin-1-yl]ethanone
CID 155770087
1-[4-[6-[[[6-[[6-(Difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155770089
1-[4-[4-[[[6-[[6-(Difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]amino]methyl]phenyl]-2,2-dimethylpiperazin-1-yl]ethanone
CID 155770102
2-[6-[(4-Fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone
CID 45189282

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (CID 42407410) is 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCC(OCc3ccccn3)CC2)nn1.
What is the InChIKey of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is VDVSPYXTRQZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-30(16-19-5-7-20(26)8-6-19)23-9-10-24(29-28-23)34-18-25(32)31-14-11-22(12-15-31)33-17-21-4-2-3-13-27-21/h2-10,13,22H,11-12,14-18H2,1H3.
What are the key properties of 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?
2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 465.53 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 42407410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).