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

C19H20F3N5O2 — CID 67424835

IUPAC4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCc1ccc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C19H20F3N5O2/c1-28-9-4-14-3-2-13(12-24-14)15-16(19(20,21)22)25-18-17(23-5-6-27(15)18)26-7-10-29-11-8-26/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyVRNZUMSEKUGLPU-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.84
Rot. Bonds5

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

4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 67424835) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID67424835
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOCCc1ccc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1
InChIInChI=1S/C19H20F3N5O2/c1-28-9-4-14-3-2-13(12-24-14)15-16(19(20,21)22)25-18-17(23-5-6-27(15)18)26-7-10-29-11-8-26/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyVRNZUMSEKUGLPU-UHFFFAOYSA-N
XLogP2.84
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.84
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-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 67424835) is 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is COCCc1ccc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1.
What is the InChIKey of 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is VRNZUMSEKUGLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-28-9-4-14-3-2-13(12-24-14)15-16(19(20,21)22)25-18-17(23-5-6-27(15)18)26-7-10-29-11-8-26/h2-3,5-6,12H,4,7-11H2,1H3.
What are the key properties of 4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[3-[6-(2-methoxyethyl)-3-pyridinyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 407.40 g/mol, XLogP of 2.84, 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-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 67424835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).