[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone

C19H18N2OS — CID 42782397

IUPAC[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C2c3cccn3CCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N2OS/c1-14-6-8-15(9-7-14)18-16-4-2-10-20(16)11-12-21(18)19(22)17-5-3-13-23-17/h2-10,13,18H,11-12H2,1H3
InChIKeyOGBYYUWLOPQIIG-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.10
Rot. Bonds2

About [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone

[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone (PubChem CID 42782397) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
PubChem CID42782397
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C2c3cccn3CCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N2OS/c1-14-6-8-15(9-7-14)18-16-4-2-10-20(16)11-12-21(18)19(22)17-5-3-13-23-17/h2-10,13,18H,11-12H2,1H3
InChIKeyOGBYYUWLOPQIIG-UHFFFAOYSA-N
XLogP4.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone 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-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone (CID 42782397) is [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone is Cc1ccc(C2c3cccn3CCN2C(=O)c2cccs2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
The InChIKey is OGBYYUWLOPQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-6-8-15(9-7-14)18-16-4-2-10-20(16)11-12-21(18)19(22)17-5-3-13-23-17/h2-10,13,18H,11-12H2,1H3.
What are the key properties of [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42782397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).