(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C17H20N4O — CID 124798405

IUPAC(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21
InChIInChI=1S/C17H20N4O/c1-22-11-15-10-20(9-14-7-18-12-21(14)15)8-13-3-2-4-17-16(13)5-6-19-17/h2-7,12,15,19H,8-11H2,1H3/t15-/m0/s1
InChIKeyYKDLKURIGAAJLP-HNNXBMFYSA-N
MW296.37 g/mol
LogP2.57
Rot. Bonds4

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

(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 124798405) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID124798405
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCOC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21
InChIInChI=1S/C17H20N4O/c1-22-11-15-10-20(9-14-7-18-12-21(14)15)8-13-3-2-4-17-16(13)5-6-19-17/h2-7,12,15,19H,8-11H2,1H3/t15-/m0/s1
InChIKeyYKDLKURIGAAJLP-HNNXBMFYSA-N
XLogP2.57
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155860016
2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide
CID 124810727
7-(1H-indol-4-ylmethyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131639369
(5R)-5-(methoxymethyl)-7-[(4-methylsulfonylphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124915536
7-[(2-methoxyphenyl)methyl]-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131643028
(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124797839
5-(1H-indol-4-ylmethyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133141807
N-[2-[5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131677621
N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine
CID 131658527
(8R)-2-(1H-indol-4-ylmethyl)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 124817158
N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 124782247
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 124798405) is (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is COC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21.
What is the InChIKey of (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is YKDLKURIGAAJLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-22-11-15-10-20(9-14-7-18-12-21(14)15)8-13-3-2-4-17-16(13)5-6-19-17/h2-7,12,15,19H,8-11H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 296.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 124798405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).