4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C17H19F3N6O2 — CID 71138992

IUPAC4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCn1cc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C17H19F3N6O2/c1-27-7-6-25-11-12(10-22-25)13-14(17(18,19)20)23-16-15(21-2-3-26(13)16)24-4-8-28-9-5-24/h2-3,10-11H,4-9H2,1H3
InChIKeyMSSQPCDVJOLFKO-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.09
Rot. Bonds5

About 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 71138992) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID71138992
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCn1cc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C17H19F3N6O2/c1-27-7-6-25-11-12(10-22-25)13-14(17(18,19)20)23-16-15(21-2-3-26(13)16)24-4-8-28-9-5-24/h2-3,10-11H,4-9H2,1H3
InChIKeyMSSQPCDVJOLFKO-UHFFFAOYSA-N
XLogP2.09
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 71138992) is 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is COCCn1cc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1.
What is the InChIKey of 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is MSSQPCDVJOLFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c1-27-7-6-25-11-12(10-22-25)13-14(17(18,19)20)23-16-15(21-2-3-26(13)16)24-4-8-28-9-5-24/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 396.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 71138992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).