2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide

C20H25N5O2 — CID 124810727

IUPAC2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21
InChIInChI=1S/C20H25N5O2/c1-23(2)20(26)13-27-12-17-11-24(10-16-8-21-14-25(16)17)9-15-4-3-5-19-18(15)6-7-22-19/h3-8,14,17,22H,9-13H2,1-2H3/t17-/m0/s1
InChIKeyVYJDWRUFNUGQSP-KRWDZBQOSA-N
MW367.45 g/mol
LogP2.03
Rot. Bonds6

About 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide

2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 124810727) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide
PubChem CID124810727
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21
InChIInChI=1S/C20H25N5O2/c1-23(2)20(26)13-27-12-17-11-24(10-16-8-21-14-25(16)17)9-15-4-3-5-19-18(15)6-7-22-19/h3-8,14,17,22H,9-13H2,1-2H3/t17-/m0/s1
InChIKeyVYJDWRUFNUGQSP-KRWDZBQOSA-N
XLogP2.03
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124798405
7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155860016
7-(1H-indol-4-ylmethyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131639369
N,N-dimethyl-2-[[(6R)-8-(pyridin-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97485733
(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124797839
(7R)-N-cyclopropyl-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124786935
N-[2-[(7S)-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 124782247
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
2-(1-benzothiophen-3-yl)-1-[5-(ethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131638860
2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131654847
N-[1-(1H-indol-4-ylmethyl)azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 128967223

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide (CID 124810727) is 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2cncn21.
What is the InChIKey of 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is VYJDWRUFNUGQSP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23(2)20(26)13-27-12-17-11-24(10-16-8-21-14-25(16)17)9-15-4-3-5-19-18(15)6-7-22-19/h3-8,14,17,22H,9-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide?
2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124810727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).