(8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C19H26N4O2 — CID 97485254

IUPAC(8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@H]1c2ncc(COCc3ccccn3)n2CCN1C1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15-19-21-12-18(14-25-13-16-4-2-3-7-20-16)23(19)9-8-22(15)17-5-10-24-11-6-17/h2-4,7,12,15,17H,5-6,8-11,13-14H2,1H3/t15-/m0/s1
InChIKeyLBWHSXQRPDEAHY-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.55
Rot. Bonds5

About (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97485254) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97485254
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@H]1c2ncc(COCc3ccccn3)n2CCN1C1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15-19-21-12-18(14-25-13-16-4-2-3-7-20-16)23(19)9-8-22(15)17-5-10-24-11-6-17/h2-4,7,12,15,17H,5-6,8-11,13-14H2,1H3/t15-/m0/s1
InChIKeyLBWHSXQRPDEAHY-HNNXBMFYSA-N
XLogP2.55
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155826288
7-cyclopentyl-8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118746038
8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131646758
(8R)-8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97474204
2-cyclopropyl-1-[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 131644046
(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422078
N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 98817954
furan-2-yl-[(8R)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422025
furan-2-yl-[(8S)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422026
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97477757
formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
CID 154923864

Frequently Asked Questions

What is the IUPAC name of (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97485254) is (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C[C@H]1c2ncc(COCc3ccccn3)n2CCN1C1CCOCC1.
What is the InChIKey of (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is LBWHSXQRPDEAHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-19-21-12-18(14-25-13-16-4-2-3-7-20-16)23(19)9-8-22(15)17-5-10-24-11-6-17/h2-4,7,12,15,17H,5-6,8-11,13-14H2,1H3/t15-/m0/s1.
What are the key properties of (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 342.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97485254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).