4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C20H22F3N5O2 — CID 67425963

IUPAC4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nc(C(F)(F)F)cn23)cn1
InChIInChI=1S/C20H22F3N5O2/c1-13-17(14-3-4-15(24-11-14)5-8-29-2)28-12-16(20(21,22)23)26-18(19(28)25-13)27-6-9-30-10-7-27/h3-4,11-12H,5-10H2,1-2H3
InChIKeySVGXSBXXARMCIU-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.14
Rot. Bonds5

About 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 67425963) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID67425963
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nc(C(F)(F)F)cn23)cn1
InChIInChI=1S/C20H22F3N5O2/c1-13-17(14-3-4-15(24-11-14)5-8-29-2)28-12-16(20(21,22)23)26-18(19(28)25-13)27-6-9-30-10-7-27/h3-4,11-12H,5-10H2,1-2H3
InChIKeySVGXSBXXARMCIU-UHFFFAOYSA-N
XLogP3.14
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 67425963) is 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nc(C(F)(F)F)cn23)cn1.
What is the InChIKey of 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is SVGXSBXXARMCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-13-17(14-3-4-15(24-11-14)5-8-29-2)28-12-16(20(21,22)23)26-18(19(28)25-13)27-6-9-30-10-7-27/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 421.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 67425963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).