(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C18H18N4O2S — CID 124912265

IUPAC(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccsc1C(=O)N1Cc2cncn2[C@H](COc2ccccn2)C1
InChIInChI=1S/C18H18N4O2S/c1-13-5-7-25-17(13)18(23)21-9-14-8-19-12-22(14)15(10-21)11-24-16-4-2-3-6-20-16/h2-8,12,15H,9-11H2,1H3/t15-/m0/s1
InChIKeyKEDVRQCEUBPDAV-HNNXBMFYSA-N
MW354.44 g/mol
LogP2.92
Rot. Bonds4

About (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 124912265) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID124912265
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccsc1C(=O)N1Cc2cncn2[C@H](COc2ccccn2)C1
InChIInChI=1S/C18H18N4O2S/c1-13-5-7-25-17(13)18(23)21-9-14-8-19-12-22(14)15(10-21)11-24-16-4-2-3-6-20-16/h2-8,12,15H,9-11H2,1H3/t15-/m0/s1
InChIKeyKEDVRQCEUBPDAV-HNNXBMFYSA-N
XLogP2.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

(3-methylfuran-2-yl)-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 131659969
2-methylsulfonyl-1-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 133139399
2-methylsulfonyl-1-[(5R)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 124783000
2-[5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-pyrrolidin-1-ylethanone
CID 131659576
(4-fluoro-2-methylphenyl)-[(5R)-5-(pyrimidin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124789315
[(5S)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 124810586
1-benzothiophen-2-yl-[(5S)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124795588
(5R)-7-(furan-3-ylmethyl)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124803021
(3-methylfuran-2-yl)-[(5S)-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124893910
[6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155824495
(3-methyl-1,2-oxazol-5-yl)-[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97477062
1-benzothiophen-2-yl-[(5R)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124819064

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 124912265) is (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is Cc1ccsc1C(=O)N1Cc2cncn2[C@H](COc2ccccn2)C1.
What is the InChIKey of (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is KEDVRQCEUBPDAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-5-7-25-17(13)18(23)21-9-14-8-19-12-22(14)15(10-21)11-24-16-4-2-3-6-20-16/h2-8,12,15H,9-11H2,1H3/t15-/m0/s1.
What are the key properties of (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 354.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[(5S)-5-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124912265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).