N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

C21H30N4O — CID 71838373

IUPACN-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cn3c(n2)CN(CC(C)C)CC3)cc1
InChIInChI=1S/C21H30N4O/c1-5-17-6-8-18(9-7-17)16(4)22-21(26)19-13-25-11-10-24(12-15(2)3)14-20(25)23-19/h6-9,13,15-16H,5,10-12,14H2,1-4H3,(H,22,26)
InChIKeyIHYFMLRZJADQSX-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 71838373) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID71838373
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cn3c(n2)CN(CC(C)C)CC3)cc1
InChIInChI=1S/C21H30N4O/c1-5-17-6-8-18(9-7-17)16(4)22-21(26)19-13-25-11-10-24(12-15(2)3)14-20(25)23-19/h6-9,13,15-16H,5,10-12,14H2,1-4H3,(H,22,26)
InChIKeyIHYFMLRZJADQSX-UHFFFAOYSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 71838415
5-[1-(4-ethylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684793
N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838087
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 51853849
N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108510968
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108510982
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
CID 108508281
6-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878707
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830
N-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838020

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide (CID 71838373) is N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is CCc1ccc(C(C)NC(=O)c2cn3c(n2)CN(CC(C)C)CC3)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IHYFMLRZJADQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-17-6-8-18(9-7-17)16(4)22-21(26)19-13-25-11-10-24(12-15(2)3)14-20(25)23-19/h6-9,13,15-16H,5,10-12,14H2,1-4H3,(H,22,26).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide?
N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 71838373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).