N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide

C17H19N5OS — CID 71991214

IUPACN-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCN(C)CCSc1ccc(NC(=O)c2nccn3ccnc23)cc1
InChIInChI=1S/C17H19N5OS/c1-21(2)11-12-24-14-5-3-13(4-6-14)20-17(23)15-16-19-8-10-22(16)9-7-18-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXUSOUFFHHNQBEJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.64
Rot. Bonds6

About N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide

N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 71991214) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID71991214
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCN(C)CCSc1ccc(NC(=O)c2nccn3ccnc23)cc1
InChIInChI=1S/C17H19N5OS/c1-21(2)11-12-24-14-5-3-13(4-6-14)20-17(23)15-16-19-8-10-22(16)9-7-18-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyXUSOUFFHHNQBEJ-UHFFFAOYSA-N
XLogP2.64
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide (CID 71991214) is N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide is CN(C)CCSc1ccc(NC(=O)c2nccn3ccnc23)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is XUSOUFFHHNQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-21(2)11-12-24-14-5-3-13(4-6-14)20-17(23)15-16-19-8-10-22(16)9-7-18-15/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]imidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 71991214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).