1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C19H19N3OS — CID 139558466

IUPAC1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3ccc4sccc4c3)nc(C3CC3)n21
InChIInChI=1S/C19H19N3OS/c1-11-19(23)21(2)10-15-17(20-18(22(11)15)12-3-4-12)14-5-6-16-13(9-14)7-8-24-16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyPJFBYCXYSAXHLS-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.18
Rot. Bonds2

About 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558466) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558466
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3ccc4sccc4c3)nc(C3CC3)n21
InChIInChI=1S/C19H19N3OS/c1-11-19(23)21(2)10-15-17(20-18(22(11)15)12-3-4-12)14-5-6-16-13(9-14)7-8-24-16/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyPJFBYCXYSAXHLS-UHFFFAOYSA-N
XLogP4.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558466) is 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3ccc4sccc4c3)nc(C3CC3)n21.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is PJFBYCXYSAXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-19(23)21(2)10-15-17(20-18(22(11)15)12-3-4-12)14-5-6-16-13(9-14)7-8-24-16/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 337.45 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-3-cyclopropyl-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).