1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

C22H23N3OS — CID 47027305

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESO=C(CN1CCn2cccc2C1c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C22H23N3OS/c26-21(24-11-8-20-18(15-24)9-14-27-20)16-25-13-12-23-10-4-7-19(23)22(25)17-5-2-1-3-6-17/h1-7,9-10,14,22H,8,11-13,15-16H2
InChIKeyGMARUQHYELRWFL-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.54
Rot. Bonds3

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 47027305) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
PubChem CID47027305
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESO=C(CN1CCn2cccc2C1c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C22H23N3OS/c26-21(24-11-8-20-18(15-24)9-14-27-20)16-25-13-12-23-10-4-7-19(23)22(25)17-5-2-1-3-6-17/h1-7,9-10,14,22H,8,11-13,15-16H2
InChIKeyGMARUQHYELRWFL-UHFFFAOYSA-N
XLogP3.54
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (CID 47027305) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is O=C(CN1CCn2cccc2C1c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is GMARUQHYELRWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-21(24-11-8-20-18(15-24)9-14-27-20)16-25-13-12-23-10-4-7-19(23)22(25)17-5-2-1-3-6-17/h1-7,9-10,14,22H,8,11-13,15-16H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 377.51 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 47027305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).