4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate

C63H59N15O9S — CID 160900655

IUPAC4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate
SMILESCC(=O)c1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.COC(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)c(OC)c4)cnc23)cc1.COc1ccc(-c2cnc3c(NCc4cnccn4)nccn23)cc1OC
InChIInChI=1S/C23H22N4O4.C21H19N5O3S.C19H18N6O2/c1-29-19-9-8-17(12-20(19)30-2)18-14-26-22-21(24-10-11-27(18)22)25-13-15-4-6-16(7-5-15)23(28)31-3;1-14(27)16-3-2-4-17(11-16)19-13-25-21-20(23-9-10-26(19)21)24-12-15-5-7-18(8-6-15)30(22,28)29;1-26-16-4-3-13(9-17(16)27-2)15-12-24-19-18(22-7-8-25(15)19)23-11-14-10-20-5-6-21-14/h4-12,14H,13H2,1-3H3,(H,24,25);2-11,13H,12H2,1H3,(H,23,24)(H2,22,28,29);3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeySPLLSZRZOYUGCU-UHFFFAOYSA-N
MW1202.33 g/mol
LogP9.49
Rot. Bonds19

About 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate

4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate (PubChem CID 160900655) has the molecular formula C63H59N15O9S and a molecular weight of 1202.33 g/mol. Its IUPAC name is 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate.

Molecular Properties

Compound Name4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate
PubChem CID160900655
Molecular FormulaC63H59N15O9S
Molecular Weight1202.33 g/mol
Exact Mass1201.43
IUPAC Name4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate
SMILESCC(=O)c1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.COC(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)c(OC)c4)cnc23)cc1.COc1ccc(-c2cnc3c(NCc4cnccn4)nccn23)cc1OC
InChIInChI=1S/C23H22N4O4.C21H19N5O3S.C19H18N6O2/c1-29-19-9-8-17(12-20(19)30-2)18-14-26-22-21(24-10-11-27(18)22)25-13-15-4-6-16(7-5-15)23(28)31-3;1-14(27)16-3-2-4-17(11-16)19-13-25-21-20(23-9-10-26(19)21)24-12-15-5-7-18(8-6-15)30(22,28)29;1-26-16-4-3-13(9-17(16)27-2)15-12-24-19-18(22-7-8-25(15)19)23-11-14-10-20-5-6-21-14/h4-12,14H,13H2,1-3H3,(H,24,25);2-11,13H,12H2,1H3,(H,23,24)(H2,22,28,29);3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeySPLLSZRZOYUGCU-UHFFFAOYSA-N
XLogP9.49
TPSA292.89 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.33
LogP ≤ 59.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate with MolForge

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Related Compounds

1-[4-[[4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]ethanone
CID 155528278
7-(2-cyclohexylethynyl)-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine;2-cyclohexyl-1-[5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazin-7-yl]ethanone;2-cyclohexyl-1-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]ethanone;7-iodo-5-(4-methylphenyl)sulfonyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-b]pyrazine
CID 157092206
4-[8-[(3-Chlorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;1-[3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone;3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157385150
4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;N-benzyl-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;N-[4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate;N-[3-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide
CID 157689410
4-[[[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[2-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[[[3-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;[4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 157872562
3-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine;4-[8-[[4-(hydroxymethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[[[3-(6-methoxynaphthalen-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 157875871
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 158287896
4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine;4-[[[3-(3-fluoro-4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol;N-[3-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide
CID 158446616
3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;N-ethyl-4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 159131607
3-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-[3-[8-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;1-[4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]propan-1-one
CID 159156594
8-[3-[2-(dimethylamino)ethyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-isocyanoimidazo[1,2-c]pyrimidin-5-amine;4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzenesulfonamide;2-fluoro-4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]-N,N-dimethylbenzamide
CID 159193246
4-[[[3-(3,4-Dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate
CID 159410893

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate?
The IUPAC name of 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate (CID 160900655) is 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate.
What is the SMILES notation for 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate?
The canonical SMILES for 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate is CC(=O)c1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.COC(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)c(OC)c4)cnc23)cc1.COc1ccc(-c2cnc3c(NCc4cnccn4)nccn23)cc1OC.
What is the InChIKey of 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate?
The InChIKey is SPLLSZRZOYUGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4.C21H19N5O3S.C19H18N6O2/c1-29-19-9-8-17(12-20(19)30-2)18-14-26-22-21(24-10-11-27(18)22)25-13-15-4-6-16(7-5-15)23(28)31-3;1-14(27)16-3-2-4-17(11-16)19-13-25-21-20(23-9-10-26(19)21)24-12-15-5-7-18(8-6-15)30(22,28)29;1-26-16-4-3-13(9-17(16)27-2)15-12-24-19-18(22-7-8-25(15)19)23-11-14-10-20-5-6-21-14/h4-12,14H,13H2,1-3H3,(H,24,25);2-11,13H,12H2,1H3,(H,23,24)(H2,22,28,29);3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate?
4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate has a molecular weight of 1202.33 g/mol, XLogP of 9.49, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(3-acetylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;3-(3,4-dimethoxyphenyl)-N-(pyrazin-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate is sourced from PubChem (CID 160900655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).