2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone

C19H18N4O3S — CID 67450946

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone
SMILESCC1c2cnc(-c3ccncc3)n2CCN1C(=O)c1scc2c1OCCO2
InChIInChI=1S/C19H18N4O3S/c1-12-14-10-21-18(13-2-4-20-5-3-13)23(14)7-6-22(12)19(24)17-16-15(11-27-17)25-8-9-26-16/h2-5,10-12H,6-9H2,1H3
InChIKeyWZMGFGIEMZFHJT-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.99
Rot. Bonds2

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone

2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone (PubChem CID 67450946) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone
PubChem CID67450946
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone
SMILESCC1c2cnc(-c3ccncc3)n2CCN1C(=O)c1scc2c1OCCO2
InChIInChI=1S/C19H18N4O3S/c1-12-14-10-21-18(13-2-4-20-5-3-13)23(14)7-6-22(12)19(24)17-16-15(11-27-17)25-8-9-26-16/h2-5,10-12H,6-9H2,1H3
InChIKeyWZMGFGIEMZFHJT-UHFFFAOYSA-N
XLogP2.99
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone (CID 67450946) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone is CC1c2cnc(-c3ccncc3)n2CCN1C(=O)c1scc2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
The InChIKey is WZMGFGIEMZFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12-14-10-21-18(13-2-4-20-5-3-13)23(14)7-6-22(12)19(24)17-16-15(11-27-17)25-8-9-26-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone?
2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone has a molecular weight of 382.45 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl-(8-methyl-3-pyridin-4-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 67450946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).