N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide

C21H21N5OS — CID 135316081

IUPACN-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccsc4)cnc3cn2)cc1
InChIInChI=1S/C21H21N5OS/c1-25(2)9-8-22-21(27)16-5-3-15(4-6-16)18-13-26-19(17-7-10-28-14-17)11-24-20(26)12-23-18/h3-7,10-14H,8-9H2,1-2H3,(H,22,27)
InChIKeyZBTGTLCKBPKRPG-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide

N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide (PubChem CID 135316081) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide
PubChem CID135316081
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccsc4)cnc3cn2)cc1
InChIInChI=1S/C21H21N5OS/c1-25(2)9-8-22-21(27)16-5-3-15(4-6-16)18-13-26-19(17-7-10-28-14-17)11-24-20(26)12-23-18/h3-7,10-14H,8-9H2,1-2H3,(H,22,27)
InChIKeyZBTGTLCKBPKRPG-UHFFFAOYSA-N
XLogP3.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide (CID 135316081) is N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide is CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccsc4)cnc3cn2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide?
The InChIKey is ZBTGTLCKBPKRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-25(2)9-8-22-21(27)16-5-3-15(4-6-16)18-13-26-19(17-7-10-28-14-17)11-24-20(26)12-23-18/h3-7,10-14H,8-9H2,1-2H3,(H,22,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide has a molecular weight of 391.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-thiophen-3-ylimidazo[1,2-a]pyrazin-6-yl)benzamide is sourced from PubChem (CID 135316081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).