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

C22H19F3N4O — CID 141209322

IUPAC4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
SMILESFC(F)(F)c1ccc(Oc2cccc(C=C3CCN(c4ccnnc4)CC3)c2)nc1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)18-4-5-21(26-14-18)30-20-3-1-2-17(13-20)12-16-7-10-29(11-8-16)19-6-9-27-28-15-19/h1-6,9,12-15H,7-8,10-11H2
InChIKeySSJIFMKLNKBCFG-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.37
Rot. Bonds4

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

4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine (PubChem CID 141209322) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
PubChem CID141209322
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
SMILESFC(F)(F)c1ccc(Oc2cccc(C=C3CCN(c4ccnnc4)CC3)c2)nc1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)18-4-5-21(26-14-18)30-20-3-1-2-17(13-20)12-16-7-10-29(11-8-16)19-6-9-27-28-15-19/h1-6,9,12-15H,7-8,10-11H2
InChIKeySSJIFMKLNKBCFG-UHFFFAOYSA-N
XLogP5.37
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
3-Cyclobutyl-7-{[5-(1H-pyrazol-1-yl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10473695
N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
CID 24967634
3-[[4-[4-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 10247561
N-(6-methylpyridin-3-yl)-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
CID 24967990
N-(6-methoxypyridin-3-yl)-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
CID 24967994
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 76322225
6-[3-(Difluoromethoxy)-4-fluorophenyl]-1-(pyrazin-2-ylmethyl)pyrazolo[4,3-b]pyridine
CID 155388890
6-[3-(Difluoromethoxy)-4-fluorophenyl]-1-(pyridin-2-ylmethyl)pyrazolo[4,3-b]pyridine
CID 155389101
6-[3-(Difluoromethoxy)phenyl]-1-[(5-fluoropyridin-3-yl)methyl]pyrazolo[4,3-b]pyridine
CID 155389260
6-[3-(Difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,3-b]pyridine
CID 155389298
6-[3-(Difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,3-b]pyridine
CID 155389330

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The IUPAC name of 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine (CID 141209322) is 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine.
What is the SMILES notation for 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The canonical SMILES for 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine is FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(c4ccnnc4)CC3)c2)nc1.
What is the InChIKey of 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The InChIKey is SSJIFMKLNKBCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-22(24,25)18-4-5-21(26-14-18)30-20-3-1-2-17(13-20)12-16-7-10-29(11-8-16)19-6-9-27-28-15-19/h1-6,9,12-15H,7-8,10-11H2.
What are the key properties of 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine has a molecular weight of 412.42 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine is sourced from PubChem (CID 141209322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).