3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine

C22H18ClF3N4O — CID 141209341

IUPAC3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
SMILESFC(F)(F)c1ccc(Oc2cccc(C=C3CCN(c4ccc(Cl)nn4)CC3)c2)nc1
InChIInChI=1S/C22H18ClF3N4O/c23-19-5-6-20(29-28-19)30-10-8-15(9-11-30)12-16-2-1-3-18(13-16)31-21-7-4-17(14-27-21)22(24,25)26/h1-7,12-14H,8-11H2
InChIKeyWIEJWRGBTIYWNX-UHFFFAOYSA-N
MW446.86 g/mol
LogP6.02
Rot. Bonds4

About 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine

3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine (PubChem CID 141209341) has the molecular formula C22H18ClF3N4O and a molecular weight of 446.86 g/mol. Its IUPAC name is 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
PubChem CID141209341
Molecular FormulaC22H18ClF3N4O
Molecular Weight446.86 g/mol
Exact Mass446.11
IUPAC Name3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
SMILESFC(F)(F)c1ccc(Oc2cccc(C=C3CCN(c4ccc(Cl)nn4)CC3)c2)nc1
InChIInChI=1S/C22H18ClF3N4O/c23-19-5-6-20(29-28-19)30-10-8-15(9-11-30)12-16-2-1-3-18(13-16)31-21-7-4-17(14-27-21)22(24,25)26/h1-7,12-14H,8-11H2
InChIKeyWIEJWRGBTIYWNX-UHFFFAOYSA-N
XLogP6.02
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.86
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine with MolForge

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Related Compounds

N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910
2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol
CID 141209342
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
2-[3-methyl-5-[(1-pyridin-3-ylpiperidin-4-ylidene)methyl]phenoxy]-5-(trifluoromethyl)pyridine
CID 91285648
N-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66876335
4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylic acid
CID 66875745
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 141362482
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89464321
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine (CID 141209341) is 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine is FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(c4ccc(Cl)nn4)CC3)c2)nc1.
What is the InChIKey of 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
The InChIKey is WIEJWRGBTIYWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O/c23-19-5-6-20(29-28-19)30-10-8-15(9-11-30)12-16-2-1-3-18(13-16)31-21-7-4-17(14-27-21)22(24,25)26/h1-7,12-14H,8-11H2.
What are the key properties of 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine?
3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine has a molecular weight of 446.86 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine is sourced from PubChem (CID 141209341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).