N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

C18H20N4O — CID 139347526

IUPACN,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCc1cccc(C#Cc2cnc3n2CCN(C(=O)N(C)C)C3)c1
InChIInChI=1S/C18H20N4O/c1-14-5-4-6-15(11-14)7-8-16-12-19-17-13-21(9-10-22(16)17)18(23)20(2)3/h4-6,11-12H,9-10,13H2,1-3H3
InChIKeyCPXGRPKZQLKSHQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.09
Rot. Bonds

About N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 139347526) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID139347526
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCc1cccc(C#Cc2cnc3n2CCN(C(=O)N(C)C)C3)c1
InChIInChI=1S/C18H20N4O/c1-14-5-4-6-15(11-14)7-8-16-12-19-17-13-21(9-10-22(16)17)18(23)20(2)3/h4-6,11-12H,9-10,13H2,1-3H3
InChIKeyCPXGRPKZQLKSHQ-UHFFFAOYSA-N
XLogP2.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[7-(4,5-dimethylfuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile
CID 139347521
3-[2-[7-(2,5-dimethylfuran-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethynyl]benzonitrile
CID 139347476
3-[2-(3-fluorophenyl)ethynyl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 71767410
N,N-dimethyl-3-(2-phenylethynyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 71767274
tert-butyl 3-[2-(3-chlorophenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate;3-[2-(3-chlorophenyl)ethynyl]-N,N-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide;(3-chlorophenyl)-[3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-morpholin-4-ylmethanone;piperidin-1-yl 3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 161422964
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910
N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115627322
2-[methyl(propan-2-yl)amino]-1-(3-thiophen-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone;oxalic acid
CID 155870642
2-N,2-N-dimethyl-5-N-(3-methylphenyl)-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112521146
3-[3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carbonyl]benzonitrile
CID 97390176
3-[2-(3-cyanophenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 139347460
3-[2-(3-methylphenyl)ethynyl]pyridine
CID 67047652

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 139347526) is N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is Cc1cccc(C#Cc2cnc3n2CCN(C(=O)N(C)C)C3)c1.
What is the InChIKey of N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is CPXGRPKZQLKSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-5-4-6-15(11-14)7-8-16-12-19-17-13-21(9-10-22(16)17)18(23)20(2)3/h4-6,11-12H,9-10,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(3-methylphenyl)ethynyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139347526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).