1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

C17H24N4OS — CID 97471133

IUPAC1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C17H24N4OS/c1-13(2)19(3)10-15-9-18-16-11-20(5-6-21(15)16)17(22)8-14-4-7-23-12-14/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3
InChIKeyZJHXEPPHAXRTHG-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.37
Rot. Bonds5

About 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone

1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (PubChem CID 97471133) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
PubChem CID97471133
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)C2
InChIInChI=1S/C17H24N4OS/c1-13(2)19(3)10-15-9-18-16-11-20(5-6-21(15)16)17(22)8-14-4-7-23-12-14/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3
InChIKeyZJHXEPPHAXRTHG-UHFFFAOYSA-N
XLogP2.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone (CID 97471133) is 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is CC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)C2.
What is the InChIKey of 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
The InChIKey is ZJHXEPPHAXRTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13(2)19(3)10-15-9-18-16-11-20(5-6-21(15)16)17(22)8-14-4-7-23-12-14/h4,7,9,12-13H,5-6,8,10-11H2,1-3H3.
What are the key properties of 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone?
1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone has a molecular weight of 332.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97471133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).