6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one

C17H19N3O2S — CID 122652355

IUPAC6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccsc1
InChIInChI=1S/C17H19N3O2S/c1-12-9-20-15(8-18-16(20)14-2-5-22-6-3-14)17(21)19(12)10-13-4-7-23-11-13/h4,7-9,11,14H,2-3,5-6,10H2,1H3
InChIKeyVRSLRMWKAICODM-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.81
Rot. Bonds3

About 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one

6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 122652355) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one
PubChem CID122652355
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one
SMILESCc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccsc1
InChIInChI=1S/C17H19N3O2S/c1-12-9-20-15(8-18-16(20)14-2-5-22-6-3-14)17(21)19(12)10-13-4-7-23-11-13/h4,7-9,11,14H,2-3,5-6,10H2,1H3
InChIKeyVRSLRMWKAICODM-UHFFFAOYSA-N
XLogP2.81
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468750
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745011
5-Methyl-2-(oxan-4-YL)-1-{[1-(thiophene-3-carbonyl)azetidin-3-YL]methyl}-1H-imidazole
CID 124046920
(3,3-difluoroazetidin-1-yl)-[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
CID 133144302
morpholin-4-yl-[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155848258
N-(sec-butyl)-N-(3-thienylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56916225
2-{5-Methyl-2-[1-(thiophene-3-carbonyl)piperidin-4-YL]-1H-imidazol-1-YL}ethan-1-OL
CID 132339037
N-methyl-3-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
CID 11956570
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 67457775
(8-Methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 173154065
ethyl 2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)acetate
CID 53346134
2-(8-oxo-3-thiophen-3-yl-6,7-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)-N-propylacetamide
CID 53346136

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one (CID 122652355) is 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one is Cc1cn2c(C3CCOCC3)ncc2c(=O)n1Cc1ccsc1.
What is the InChIKey of 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is VRSLRMWKAICODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-9-20-15(8-18-16(20)14-2-5-22-6-3-14)17(21)19(12)10-13-4-7-23-11-13/h4,7-9,11,14H,2-3,5-6,10H2,1H3.
What are the key properties of 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one?
6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 329.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxan-4-yl)-7-(thiophen-3-ylmethyl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 122652355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).