2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol

C68H75N17O6 — CID 158750446

IUPAC2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol
SMILESCCCC/C=C/c1cn2ccnc2c(Nc2ccc(N(CC)CCO)cc2)n1.CN(C)C(=O)COc1cccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)c1.CN(C)CCNC(=O)c1ccc(-c2cn3ccnc3c(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C24H24N6O3.C22H22N6O2.C22H29N5O/c1-29(2)13-11-26-23(31)17-5-3-16(4-6-17)20-15-30-14-12-25-22(30)21(28-20)27-19-9-7-18(8-10-19)24(32)33;1-27(2)20(29)14-30-18-8-4-7-17(12-18)25-21-22-24-9-10-28(22)13-19(26-21)15-5-3-6-16(23)11-15;1-3-5-6-7-8-19-17-27-14-13-23-22(27)21(25-19)24-18-9-11-20(12-10-18)26(4-2)15-16-28/h3-10,12,14-15H,11,13H2,1-2H3,(H,26,31)(H,27,28)(H,32,33);3-13H,14,23H2,1-2H3,(H,25,26);7-14,17,28H,3-6,15-16H2,1-2H3,(H,24,25)/b;;8-7+
InChIKeyINKIIVJVMWIIQR-LODWTXSFSA-N
MW1226.46 g/mol
LogP10.81
Rot. Bonds24

About 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol

2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol (PubChem CID 158750446) has the molecular formula C68H75N17O6 and a molecular weight of 1226.46 g/mol. Its IUPAC name is 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol.

Molecular Properties

Compound Name2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol
PubChem CID158750446
Molecular FormulaC68H75N17O6
Molecular Weight1226.46 g/mol
Exact Mass1225.61
IUPAC Name2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol
SMILESCCCC/C=C/c1cn2ccnc2c(Nc2ccc(N(CC)CCO)cc2)n1.CN(C)C(=O)COc1cccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)c1.CN(C)CCNC(=O)c1ccc(-c2cn3ccnc3c(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C24H24N6O3.C22H22N6O2.C22H29N5O/c1-29(2)13-11-26-23(31)17-5-3-16(4-6-17)20-15-30-14-12-25-22(30)21(28-20)27-19-9-7-18(8-10-19)24(32)33;1-27(2)20(29)14-30-18-8-4-7-17(12-18)25-21-22-24-9-10-28(22)13-19(26-21)15-5-3-6-16(23)11-15;1-3-5-6-7-8-19-17-27-14-13-23-22(27)21(25-19)24-18-9-11-20(12-10-18)26(4-2)15-16-28/h3-10,12,14-15H,11,13H2,1-2H3,(H,26,31)(H,27,28)(H,32,33);3-13H,14,23H2,1-2H3,(H,25,26);7-14,17,28H,3-6,15-16H2,1-2H3,(H,24,25)/b;;8-7+
InChIKeyINKIIVJVMWIIQR-LODWTXSFSA-N
XLogP10.81
TPSA275.33 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.46
LogP ≤ 510.81
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol with MolForge

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Related Compounds

6-[8-[4-[ethyl(2-hydroxyethyl)amino]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,3-dimethyl-1H-inden-2-one
CID 147107388
4-tert-butyl-N-[3-[8-[4-[2-(dimethylamino)ethoxy]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11562992
4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
CID 11669556
4-[[3-[8-(4-tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-formylanilino]methyl]benzoic acid
CID 87651146
N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide
CID 140922972
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
CID 11397050
4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11612889
4-tert-butyl-N-[5-[8-[4-(dimethylcarbamoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 58688035
4-tert-butyl-N-[3-[8-(4-carbamoylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754735
3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839
4-tert-butyl-N-[3-[8-[4-[(4-methylpiperazin-1-yl)methyl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11534309

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol?
The IUPAC name of 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol (CID 158750446) is 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol.
What is the SMILES notation for 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol?
The canonical SMILES for 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol is CCCC/C=C/c1cn2ccnc2c(Nc2ccc(N(CC)CCO)cc2)n1.CN(C)C(=O)COc1cccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)c1.CN(C)CCNC(=O)c1ccc(-c2cn3ccnc3c(Nc3ccc(C(=O)O)cc3)n2)cc1.
What is the InChIKey of 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol?
The InChIKey is INKIIVJVMWIIQR-LODWTXSFSA-N. The full InChI is InChI=1S/C24H24N6O3.C22H22N6O2.C22H29N5O/c1-29(2)13-11-26-23(31)17-5-3-16(4-6-17)20-15-30-14-12-25-22(30)21(28-20)27-19-9-7-18(8-10-19)24(32)33;1-27(2)20(29)14-30-18-8-4-7-17(12-18)25-21-22-24-9-10-28(22)13-19(26-21)15-5-3-6-16(23)11-15;1-3-5-6-7-8-19-17-27-14-13-23-22(27)21(25-19)24-18-9-11-20(12-10-18)26(4-2)15-16-28/h3-10,12,14-15H,11,13H2,1-2H3,(H,26,31)(H,27,28)(H,32,33);3-13H,14,23H2,1-2H3,(H,25,26);7-14,17,28H,3-6,15-16H2,1-2H3,(H,24,25)/b;;8-7+.
What are the key properties of 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol?
2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol has a molecular weight of 1226.46 g/mol, XLogP of 10.81, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol is sourced from PubChem (CID 158750446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).