2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol

C23H20F3N5O2 — CID 143394657

IUPAC2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol
SMILESOc1ccc2nc(-c3ccc(N4CCC(Oc5ccccc5C(F)(F)F)CC4)nn3)cn2c1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)17-3-1-2-4-20(17)33-16-9-11-30(12-10-16)22-8-6-18(28-29-22)19-14-31-13-15(32)5-7-21(31)27-19/h1-8,13-14,16,32H,9-12H2
InChIKeyMEYRNXFVYZCMDT-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.56
Rot. Bonds4

About 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol

2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol (PubChem CID 143394657) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol.

Molecular Properties

Compound Name2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol
PubChem CID143394657
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol
SMILESOc1ccc2nc(-c3ccc(N4CCC(Oc5ccccc5C(F)(F)F)CC4)nn3)cn2c1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)17-3-1-2-4-20(17)33-16-9-11-30(12-10-16)22-8-6-18(28-29-22)19-14-31-13-15(32)5-7-21(31)27-19/h1-8,13-14,16,32H,9-12H2
InChIKeyMEYRNXFVYZCMDT-UHFFFAOYSA-N
XLogP4.56
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol with MolForge

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Related Compounds

3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]phenol
CID 71083472
(2R)-2,5-diamino-5-oxo-2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonyl]pentanoic acid
CID 151166475
1-(5-bromo-2-pyridinyl)piperidin-4-ol;5-bromo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine;1-fluoro-2-(trifluoromethyl)benzene
CID 158018417
5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine
CID 141215372
3-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 71120857
(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 68978029
3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-pyridin-3-ylpyridazine
CID 16733177
2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazole
CID 91253125
2-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 133390966
[3-[2-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]methanol
CID 23634374
5-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135771804
2-[3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]acetaldehyde
CID 90911845

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol?
The IUPAC name of 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol (CID 143394657) is 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol.
What is the SMILES notation for 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol?
The canonical SMILES for 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol is Oc1ccc2nc(-c3ccc(N4CCC(Oc5ccccc5C(F)(F)F)CC4)nn3)cn2c1.
What is the InChIKey of 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol?
The InChIKey is MEYRNXFVYZCMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)17-3-1-2-4-20(17)33-16-9-11-30(12-10-16)22-8-6-18(28-29-22)19-14-31-13-15(32)5-7-21(31)27-19/h1-8,13-14,16,32H,9-12H2.
What are the key properties of 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol?
2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol has a molecular weight of 455.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]imidazo[1,2-a]pyridin-6-ol is sourced from PubChem (CID 143394657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).