(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C18H23N3O — CID 125015465

IUPAC(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1ccc([C@H]2Cn3ccnc3CN2CC2CCOCC2)cc1
InChIInChI=1S/C18H23N3O/c1-2-4-16(5-3-1)17-13-20-9-8-19-18(20)14-21(17)12-15-6-10-22-11-7-15/h1-5,8-9,15,17H,6-7,10-14H2/t17-/m1/s1
InChIKeyWTUPXEUYRBEFHH-QGZVFWFLSA-N
MW297.40 g/mol
LogP2.87
Rot. Bonds3

About (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 125015465) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID125015465
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1ccc([C@H]2Cn3ccnc3CN2CC2CCOCC2)cc1
InChIInChI=1S/C18H23N3O/c1-2-4-16(5-3-1)17-13-20-9-8-19-18(20)14-21(17)12-15-6-10-22-11-7-15/h1-5,8-9,15,17H,6-7,10-14H2/t17-/m1/s1
InChIKeyWTUPXEUYRBEFHH-QGZVFWFLSA-N
XLogP2.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 125015465) is (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is c1ccc([C@H]2Cn3ccnc3CN2CC2CCOCC2)cc1.
What is the InChIKey of (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is WTUPXEUYRBEFHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-4-16(5-3-1)17-13-20-9-8-19-18(20)14-21(17)12-15-6-10-22-11-7-15/h1-5,8-9,15,17H,6-7,10-14H2/t17-/m1/s1.
What are the key properties of (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 297.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-(oxan-4-ylmethyl)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 125015465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).