2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide

C19H26N4O2 — CID 97421940

IUPAC2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide
SMILESC[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-15-19-20-11-17(13-25-14-18(24)21(2)3)23(19)10-9-22(15)12-16-7-5-4-6-8-16/h4-8,11,15H,9-10,12-14H2,1-3H3/t15-/m0/s1
InChIKeyADJJYBNEKALELY-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.06
Rot. Bonds6

About 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide

2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 97421940) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide
PubChem CID97421940
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide
SMILESC[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccccc1
InChIInChI=1S/C19H26N4O2/c1-15-19-20-11-17(13-25-14-18(24)21(2)3)23(19)10-9-22(15)12-16-7-5-4-6-8-16/h4-8,11,15H,9-10,12-14H2,1-3H3/t15-/m0/s1
InChIKeyADJJYBNEKALELY-HNNXBMFYSA-N
XLogP2.06
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[[(8S)-8-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]acetamide
CID 97421949
2-[[(8S)-7-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97422036
(8R)-3-(ethoxymethyl)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421879
3-(ethoxymethyl)-8-methyl-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743048
(8R)-8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97474204
2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97421882
N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
CID 97384514
N-[[(8R)-8-methyl-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97471346
(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422049
2-cyclopropyl-1-[8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 131644046
[(8R)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97421889
furan-2-yl-[(8S)-8-methyl-3-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97422026

Frequently Asked Questions

What is the IUPAC name of 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide (CID 97421940) is 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide is C[C@H]1c2ncc(COCC(=O)N(C)C)n2CCN1Cc1ccccc1.
What is the InChIKey of 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is ADJJYBNEKALELY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-19-20-11-17(13-25-14-18(24)21(2)3)23(19)10-9-22(15)12-16-7-5-4-6-8-16/h4-8,11,15H,9-10,12-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide?
2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(8S)-7-benzyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97421940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).