4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide

C122H113N29O12S2 — CID 161242683

About 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide

4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide (PubChem CID 161242683) has the molecular formula C122H113N29O12S2 and a molecular weight of 2241.57 g/mol. Its IUPAC name is 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide
• PubChem CID: 161242683
• Molecular Formula: C122H113N29O12S2
• Molecular Weight: 2241.57 g/mol
• Exact Mass: 2239.86
• IUPAC Name: 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide
• SMILES: CC(=O)c1cccc(-c2cnc3c(NCCc4cccnc4)nccn23)c1.CC(C)c1ccc(Nc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.CNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1.COc1ccc(-c2cnc3c(NCc4ccc(C(=O)O)cc4)nccn23)cc1OC.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.Oc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1
• InChI: InChI=1S/C22H20N4O4.C21H21N5O3S.C21H19N5O.C21H20N4O.C19H18N6O2S.C18H15N5O/c1-29-18-8-7-16(11-19(18)30-2)17-13-25-21-20(23-9-10-26(17)21)24-12-14-3-5-15(6-4-14)22(27)28;1-22-30(27,28)18-9-3-15(4-10-18)13-24-20-21-25-14-19(26(21)12-11-23-20)16-5-7-17(29-2)8-6-16;1-15(27)17-5-2-6-18(12-17)19-14-25-21-20(24-10-11-26(19)21)23-9-7-16-4-3-8-22-13-16;1-14(2)15-3-7-17(8-4-15)24-20-21-23-13-19(25(21)12-11-22-20)16-5-9-18(26)10-6-16;1-28(26,27)24-16-6-2-5-15(10-16)17-13-23-19-18(21-8-9-25(17)19)22-12-14-4-3-7-20-11-14;24-15-5-1-4-14(9-15)16-12-22-18-17(20-7-8-23(16)18)21-11-13-3-2-6-19-10-13/h3-11,13H,12H2,1-2H3,(H,23,24)(H,27,28);3-12,14,22H,13H2,1-2H3,(H,23,24);2-6,8,10-14H,7,9H2,1H3,(H,23,24);3-14,26H,1-2H3,(H,22,24);2-11,13,24H,12H2,1H3,(H,21,22);1-10,12,24H,11H2,(H,20,21)
• InChIKey: VAFMIYPEESBQME-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 506.85 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2241.57
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?

The IUPAC name of 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide (CID 161242683) is 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide.

What is the SMILES notation for 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?

The canonical SMILES for 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide is CC(=O)c1cccc(-c2cnc3c(NCCc4cccnc4)nccn23)c1.CC(C)c1ccc(Nc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.CNS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1.COc1ccc(-c2cnc3c(NCc4ccc(C(=O)O)cc4)nccn23)cc1OC.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.Oc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.

What is the InChIKey of 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?

The InChIKey is VAFMIYPEESBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4.C21H21N5O3S.C21H19N5O.C21H20N4O.C19H18N6O2S.C18H15N5O/c1-29-18-8-7-16(11-19(18)30-2)17-13-25-21-20(23-9-10-26(17)21)24-12-14-3-5-15(6-4-14)22(27)28;1-22-30(27,28)18-9-3-15(4-10-18)13-24-20-21-25-14-19(26(21)12-11-23-20)16-5-7-17(29-2)8-6-16;1-15(27)17-5-2-6-18(12-17)19-14-25-21-20(24-10-11-26(19)21)23-9-7-16-4-3-8-22-13-16;1-14(2)15-3-7-17(8-4-15)24-20-21-23-13-19(25(21)12-11-22-20)16-5-9-18(26)10-6-16;1-28(26,27)24-16-6-2-5-15(10-16)17-13-23-19-18(21-8-9-25(17)19)22-12-14-4-3-7-20-11-14;24-15-5-1-4-14(9-15)16-12-22-18-17(20-7-8-23(16)18)21-11-13-3-2-6-19-10-13/h3-11,13H,12H2,1-2H3,(H,23,24)(H,27,28);3-12,14,22H,13H2,1-2H3,(H,23,24);2-6,8,10-14H,7,9H2,1H3,(H,23,24);3-14,26H,1-2H3,(H,22,24);2-11,13,24H,12H2,1H3,(H,21,22);1-10,12,24H,11H2,(H,20,21).

What are the key properties of 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide?

4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide has a molecular weight of 2241.57 g/mol, XLogP of 21.15, 34 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;4-[[[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-N-methylbenzenesulfonamide;4-[8-(4-propan-2-ylanilino)imidazo[1,2-a]pyrazin-3-yl]phenol;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;N-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 161242683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).