4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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

C63H60N14O9S2 — CID 161322522

IUPAC4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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
SMILESCCC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(C)c1O
InChIInChI=1S/C22H20N4O2.C21H21N5O3S.C20H19N5O4S/c1-2-20(28)17-5-3-15(4-6-17)13-24-21-22-25-14-19(26(22)12-11-23-21)16-7-9-18(27)10-8-16;1-13-9-16(10-14(2)19(13)27)18-12-25-21-20(23-7-8-26(18)21)24-11-15-3-5-17(6-4-15)30(22,28)29;1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h3-12,14,27H,2,13H2,1H3,(H,23,24);3-10,12,27H,11H2,1-2H3,(H,23,24)(H2,22,28,29);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyVKIHCHYVXRPBRT-UHFFFAOYSA-N
MW1221.40 g/mol
LogP9.65
Rot. Bonds17

About 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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

4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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 (PubChem CID 161322522) has the molecular formula C63H60N14O9S2 and a molecular weight of 1221.40 g/mol. Its IUPAC name is 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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.

Molecular Properties

Compound Name4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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
PubChem CID161322522
Molecular FormulaC63H60N14O9S2
Molecular Weight1221.40 g/mol
Exact Mass1220.41
IUPAC Name4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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
SMILESCCC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(C)c1O
InChIInChI=1S/C22H20N4O2.C21H21N5O3S.C20H19N5O4S/c1-2-20(28)17-5-3-15(4-6-17)13-24-21-22-25-14-19(26(22)12-11-23-21)16-7-9-18(27)10-8-16;1-13-9-16(10-14(2)19(13)27)18-12-25-21-20(23-7-8-26(18)21)24-11-15-3-5-17(6-4-15)30(22,28)29;1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h3-12,14,27H,2,13H2,1H3,(H,23,24);3-10,12,27H,11H2,1-2H3,(H,23,24)(H2,22,28,29);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28)
InChIKeyVKIHCHYVXRPBRT-UHFFFAOYSA-N
XLogP9.65
TPSA333.97 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001221.40
LogP ≤ 59.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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 with MolForge

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Related Compounds

4-[[[3-(3-Chloro-4-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 158806734
4-[[[3-[4-(Hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 157323305
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
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
N-[3-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;[4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol;4-[[[3-(3,4-dihydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 158146092
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
4-[[[3-(4-Fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;4-[8-(2-pyridin-4-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol;3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 158878456
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]phenyl]methanol;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;N-[3-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide;3-[8-(2-pyridin-3-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 159329263

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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?
The IUPAC name of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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 161322522) is 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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.
What is the SMILES notation for 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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?
The canonical SMILES for 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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 is CCC(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.COc1cc(-c2cnc3c(NCc4cccc(S(N)(=O)=O)c4)nccn23)ccc1O.Cc1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)cc(C)c1O.
What is the InChIKey of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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?
The InChIKey is VKIHCHYVXRPBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2.C21H21N5O3S.C20H19N5O4S/c1-2-20(28)17-5-3-15(4-6-17)13-24-21-22-25-14-19(26(22)12-11-23-21)16-7-9-18(27)10-8-16;1-13-9-16(10-14(2)19(13)27)18-12-25-21-20(23-7-8-26(18)21)24-11-15-3-5-17(6-4-15)30(22,28)29;1-29-18-10-14(5-6-17(18)26)16-12-24-20-19(22-7-8-25(16)20)23-11-13-3-2-4-15(9-13)30(21,27)28/h3-12,14,27H,2,13H2,1H3,(H,23,24);3-10,12,27H,11H2,1-2H3,(H,23,24)(H2,22,28,29);2-10,12,26H,11H2,1H3,(H,22,23)(H2,21,27,28).
What are the key properties of 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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?
4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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 has a molecular weight of 1221.40 g/mol, XLogP of 9.65, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide;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 is sourced from PubChem (CID 161322522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).