imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

C20H18F3N3O3 — CID 67170484

IUPACimidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccn2ccnc12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)29-16-4-1-3-15(13-16)28-14-6-10-26(11-7-14)19(27)17-5-2-9-25-12-8-24-18(17)25/h1-5,8-9,12-14H,6-7,10-11H2
InChIKeyACQJWONPSIGJIY-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.92
Rot. Bonds4

About imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (PubChem CID 67170484) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
PubChem CID67170484
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC Nameimidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1cccn2ccnc12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)29-16-4-1-3-15(13-16)28-14-6-10-26(11-7-14)19(27)17-5-2-9-25-12-8-24-18(17)25/h1-5,8-9,12-14H,6-7,10-11H2
InChIKeyACQJWONPSIGJIY-UHFFFAOYSA-N
XLogP3.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (CID 67170484) is imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is O=C(c1cccn2ccnc12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The InChIKey is ACQJWONPSIGJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c21-20(22,23)29-16-4-1-3-15(13-16)28-14-6-10-26(11-7-14)19(27)17-5-2-9-25-12-8-24-18(17)25/h1-5,8-9,12-14H,6-7,10-11H2.
What are the key properties of imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone has a molecular weight of 405.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-8-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 67170484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).