N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide

C23H26N6OS — CID 24857262

IUPACN-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccsc3)n3ccnc23)cc1
InChIInChI=1S/C23H26N6OS/c1-3-28(4-2)12-10-25-23(30)17-5-7-19(8-6-17)27-21-22-24-11-13-29(22)20(15-26-21)18-9-14-31-16-18/h5-9,11,13-16H,3-4,10,12H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyIDMPSDSRWTVHML-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.27
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide

N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide (PubChem CID 24857262) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide
PubChem CID24857262
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccsc3)n3ccnc23)cc1
InChIInChI=1S/C23H26N6OS/c1-3-28(4-2)12-10-25-23(30)17-5-7-19(8-6-17)27-21-22-24-11-13-29(22)20(15-26-21)18-9-14-31-16-18/h5-9,11,13-16H,3-4,10,12H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyIDMPSDSRWTVHML-UHFFFAOYSA-N
XLogP4.27
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[[5-(furan-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 24857263
N-[2-(diethylamino)ethyl]-4-[[5-(5-methyl-1H-1,2,4-triazol-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 59023029
N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 24857007
N-(4-chlorophenyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126474756
N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide
CID 143578182
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide
CID 24857650
N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 46240955
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815
N-[2-(diethylamino)ethyl]-4-(1,3-oxazol-4-ylcarbamoylamino)benzamide
CID 91324654
N-[2-(diethylamino)ethyl]-4-(1H-imidazol-2-yl)benzamide
CID 14664370

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide (CID 24857262) is N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide is CCN(CC)CCNC(=O)c1ccc(Nc2ncc(-c3ccsc3)n3ccnc23)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide?
The InChIKey is IDMPSDSRWTVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-3-28(4-2)12-10-25-23(30)17-5-7-19(8-6-17)27-21-22-24-11-13-29(22)20(15-26-21)18-9-14-31-16-18/h5-9,11,13-16H,3-4,10,12H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide has a molecular weight of 434.57 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(5-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]benzamide is sourced from PubChem (CID 24857262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).