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

C19H17F3N4O3 — CID 67169017

IUPACimidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1cn2ccncc2n1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)29-15-3-1-2-14(10-15)28-13-4-7-25(8-5-13)18(27)16-12-26-9-6-23-11-17(26)24-16/h1-3,6,9-13H,4-5,7-8H2
InChIKeyZIEZNSSWWNVXIV-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.31
Rot. Bonds4

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

imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (PubChem CID 67169017) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
PubChem CID67169017
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Nameimidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1cn2ccncc2n1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)29-15-3-1-2-14(10-15)28-13-4-7-25(8-5-13)18(27)16-12-26-9-6-23-11-17(26)24-16/h1-3,6,9-13H,4-5,7-8H2
InChIKeyZIEZNSSWWNVXIV-UHFFFAOYSA-N
XLogP3.31
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (CID 67169017) is imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is O=C(c1cn2ccncc2n1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The InChIKey is ZIEZNSSWWNVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-19(21,22)29-15-3-1-2-14(10-15)28-13-4-7-25(8-5-13)18(27)16-12-26-9-6-23-11-17(26)24-16/h1-3,6,9-13H,4-5,7-8H2.
What are the key properties of imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone has a molecular weight of 406.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrazin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 67169017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).