(1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone

C19H22N4O3S — CID 78082416

IUPAC(1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(Cc3ccccc3)C3CS(=O)(=O)CC32)cn1
InChIInChI=1S/C19H22N4O3S/c1-14-9-21-16(10-20-14)19(24)23-8-7-22(11-15-5-3-2-4-6-15)17-12-27(25,26)13-18(17)23/h2-6,9-10,17-18H,7-8,11-13H2,1H3
InChIKeyDNNILMASQDECQE-UHFFFAOYSA-N
MW386.48 g/mol
LogP0.91
Rot. Bonds3

About (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone

(1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 78082416) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone
PubChem CID78082416
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name(1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(Cc3ccccc3)C3CS(=O)(=O)CC32)cn1
InChIInChI=1S/C19H22N4O3S/c1-14-9-21-16(10-20-14)19(24)23-8-7-22(11-15-5-3-2-4-6-15)17-12-27(25,26)13-18(17)23/h2-6,9-10,17-18H,7-8,11-13H2,1H3
InChIKeyDNNILMASQDECQE-UHFFFAOYSA-N
XLogP0.91
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone (CID 78082416) is (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCN(Cc3ccccc3)C3CS(=O)(=O)CC32)cn1.
What is the InChIKey of (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is DNNILMASQDECQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14-9-21-16(10-20-14)19(24)23-8-7-22(11-15-5-3-2-4-6-15)17-12-27(25,26)13-18(17)23/h2-6,9-10,17-18H,7-8,11-13H2,1H3.
What are the key properties of (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone?
(1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 386.48 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 78082416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).