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

C18H26N4OS — CID 118743050

IUPAC1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1cccs1)C2C
InChIInChI=1S/C18H26N4OS/c1-13(2)20(4)12-15-11-19-18-14(3)21(7-8-22(15)18)17(23)10-16-6-5-9-24-16/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3
InChIKeyMRRCJFSNTLVCNK-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.93
Rot. Bonds5

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

1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (PubChem CID 118743050) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
PubChem CID118743050
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESCC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1cccs1)C2C
InChIInChI=1S/C18H26N4OS/c1-13(2)20(4)12-15-11-19-18-14(3)21(7-8-22(15)18)17(23)10-16-6-5-9-24-16/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3
InChIKeyMRRCJFSNTLVCNK-UHFFFAOYSA-N
XLogP2.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(Dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233482
[2-(7-Methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 7150753
Imidazo(1,2-a)pyridine-3-acetamide, N,N,6-trimethyl-2-(5-methyl-2-thienyl)-
CID 13259005
Imidazo(1,2-a)pyridine-3-acetamide, 2-(5-ethyl-2-thienyl)-N,N,6-trimethyl-
CID 13259006
8-Methyl-6-thiophen-2-ylpteridin-7-one
CID 3233492
8-Cyclopropyl-6-thiophen-2-ylpteridin-7-one
CID 3233657
2-(Dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
CID 3234005
8-Cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one
CID 3234164
2-(4-Methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3235550
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 5310268
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 7150722

Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (CID 118743050) is 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is CC(C)N(C)Cc1cnc2n1CCN(C(=O)Cc1cccs1)C2C.
What is the InChIKey of 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The InChIKey is MRRCJFSNTLVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13(2)20(4)12-15-11-19-18-14(3)21(7-8-22(15)18)17(23)10-16-6-5-9-24-16/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3.
What are the key properties of 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone has a molecular weight of 346.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 118743050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).