3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine

C23H21F3N4O2 — CID 141209320

IUPAC3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
SMILESFC(F)(F)COc1ccc(Oc2cccc(C=C3CCN(c4cccnn4)CC3)c2)nc1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)16-31-20-6-7-22(27-15-20)32-19-4-1-3-18(14-19)13-17-8-11-30(12-9-17)21-5-2-10-28-29-21/h1-7,10,13-15H,8-9,11-12,16H2
InChIKeyUAAWYWNXMPFRSY-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.29
Rot. Bonds6

About 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine

3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine (PubChem CID 141209320) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
PubChem CID141209320
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
SMILESFC(F)(F)COc1ccc(Oc2cccc(C=C3CCN(c4cccnn4)CC3)c2)nc1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)16-31-20-6-7-22(27-15-20)32-19-4-1-3-18(14-19)13-17-8-11-30(12-9-17)21-5-2-10-28-29-21/h1-7,10,13-15H,8-9,11-12,16H2
InChIKeyUAAWYWNXMPFRSY-UHFFFAOYSA-N
XLogP5.29
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine with MolForge

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Related Compounds

PF 04457845
CID 24771824
6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-N-[[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]methyl]pyridazin-3-amine
CID 155770113
N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexane-1-carboxamide
CID 71543953
US11485727, Example 2.8
CID 155770132
4-(3-(3-methylpyridin-2-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide
CID 24964424
4-(3-(5-methylpyridin-2-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide
CID 24964426
4-(3-(5-ethoxypyridin-2-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide
CID 24964785
4-(3-(6-(trifluoromethyl)pyridin-3-yloxy)benzylidene)-N-(pyridazin-3-yl)piperidine-1-carboxamide
CID 24965144
4-(3-(5-(pent-4-ynyloxy)pyridin-2-yloxy)benzylidene)-N-(Pyridazin-3-yl)piperidine-1-carboxamide
CID 24966202
4-{3-[(4-methylpyridin-2-yl)oxy]benzylidene}-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 24967276
N-pyridazin-3-yl-2-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-7-azaspiro[3.5]nonane-7-carboxamide
CID 57391076
N-pyridazin-3-yl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 57394594

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The IUPAC name of 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine (CID 141209320) is 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine is FC(F)(F)COc1ccc(Oc2cccc(C=C3CCN(c4cccnn4)CC3)c2)nc1.
What is the InChIKey of 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The InChIKey is UAAWYWNXMPFRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)16-31-20-6-7-22(27-15-20)32-19-4-1-3-18(14-19)13-17-8-11-30(12-9-17)21-5-2-10-28-29-21/h1-7,10,13-15H,8-9,11-12,16H2.
What are the key properties of 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine has a molecular weight of 442.44 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine is sourced from PubChem (CID 141209320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).