5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

C24H21F3N4O — CID 146025731

IUPAC5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cc(Oc2cc(N3CCCCC3)ccn2)ccc1-c1cccc2nccn12
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)20-16-18(7-8-19(20)21-5-4-6-22-28-11-14-31(21)22)32-23-15-17(9-10-29-23)30-12-2-1-3-13-30/h4-11,14-16H,1-3,12-13H2
InChIKeyPZMDYVORBITUDG-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.20
Rot. Bonds4

About 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 146025731) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID146025731
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cc(Oc2cc(N3CCCCC3)ccn2)ccc1-c1cccc2nccn12
InChIInChI=1S/C24H21F3N4O/c25-24(26,27)20-16-18(7-8-19(20)21-5-4-6-22-28-11-14-31(21)22)32-23-15-17(9-10-29-23)30-12-2-1-3-13-30/h4-11,14-16H,1-3,12-13H2
InChIKeyPZMDYVORBITUDG-UHFFFAOYSA-N
XLogP6.20
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (CID 146025731) is 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is FC(F)(F)c1cc(Oc2cc(N3CCCCC3)ccn2)ccc1-c1cccc2nccn12.
What is the InChIKey of 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is PZMDYVORBITUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c25-24(26,27)20-16-18(7-8-19(20)21-5-4-6-22-28-11-14-31(21)22)32-23-15-17(9-10-29-23)30-12-2-1-3-13-30/h4-11,14-16H,1-3,12-13H2.
What are the key properties of 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 438.45 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-piperidin-1-yl-2-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 146025731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).