3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide

C115H111N31O16S3 — CID 159878146

IUPAC3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.COCCCNc1nccn2c(-c3ccc(OC)c(OC)c3)cnc12.COc1ccc(-c2cnc3c(NCc4ccco4)nccn23)cc1OC.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.Oc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1
InChIInChI=1S/C21H20N6O3S.C20H18N6O4S.C19H18N6O2S.C19H18N4O3.C18H15N5O.C18H22N4O3/c1-14(28)26-17-4-2-3-16(11-17)19-13-25-21-20(23-9-10-27(19)21)24-12-15-5-7-18(8-6-15)31(22,29)30;21-18(28)15-9-13(3-6-17(15)27)16-11-25-20-19(23-7-8-26(16)20)24-10-12-1-4-14(5-2-12)31(22,29)30;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;1-24-16-6-5-13(10-17(16)25-2)15-12-22-19-18(20-7-8-23(15)19)21-11-14-4-3-9-26-14;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;1-23-10-4-7-19-17-18-21-12-14(22(18)9-8-20-17)13-5-6-15(24-2)16(11-13)25-3/h2-11,13H,12H2,1H3,(H,23,24)(H,26,28)(H2,22,29,30);1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);2-11,13,24H,12H2,1H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);1-10,12,24H,11H2,(H,20,21);5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyNTEGVPQANICZDW-UHFFFAOYSA-N
MW2279.55 g/mol
LogP16.44
Rot. Bonds36

About 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide

3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide (PubChem CID 159878146) has the molecular formula C115H111N31O16S3 and a molecular weight of 2279.55 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
PubChem CID159878146
Molecular FormulaC115H111N31O16S3
Molecular Weight2279.55 g/mol
Exact Mass2277.80
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.COCCCNc1nccn2c(-c3ccc(OC)c(OC)c3)cnc12.COc1ccc(-c2cnc3c(NCc4ccco4)nccn23)cc1OC.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.Oc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1
InChIInChI=1S/C21H20N6O3S.C20H18N6O4S.C19H18N6O2S.C19H18N4O3.C18H15N5O.C18H22N4O3/c1-14(28)26-17-4-2-3-16(11-17)19-13-25-21-20(23-9-10-27(19)21)24-12-15-5-7-18(8-6-15)31(22,29)30;21-18(28)15-9-13(3-6-17(15)27)16-11-25-20-19(23-7-8-26(16)20)24-10-12-1-4-14(5-2-12)31(22,29)30;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;1-24-16-6-5-13(10-17(16)25-2)15-12-22-19-18(20-7-8-23(15)19)21-11-14-4-3-9-26-14;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;1-23-10-4-7-19-17-18-21-12-14(22(18)9-8-20-17)13-5-6-15(24-2)16(11-13)25-3/h2-11,13H,12H2,1H3,(H,23,24)(H,26,28)(H2,22,29,30);1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);2-11,13,24H,12H2,1H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);1-10,12,24H,11H2,(H,20,21);5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyNTEGVPQANICZDW-UHFFFAOYSA-N
XLogP16.44
TPSA617.53 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002279.55
LogP ≤ 516.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide (CID 159878146) is 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)c1.COCCCNc1nccn2c(-c3ccc(OC)c(OC)c3)cnc12.COc1ccc(-c2cnc3c(NCc4ccco4)nccn23)cc1OC.CS(=O)(=O)Nc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.NC(=O)c1cc(-c2cnc3c(NCc4ccc(S(N)(=O)=O)cc4)nccn23)ccc1O.Oc1cccc(-c2cnc3c(NCc4cccnc4)nccn23)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The InChIKey is NTEGVPQANICZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S.C20H18N6O4S.C19H18N6O2S.C19H18N4O3.C18H15N5O.C18H22N4O3/c1-14(28)26-17-4-2-3-16(11-17)19-13-25-21-20(23-9-10-27(19)21)24-12-15-5-7-18(8-6-15)31(22,29)30;21-18(28)15-9-13(3-6-17(15)27)16-11-25-20-19(23-7-8-26(16)20)24-10-12-1-4-14(5-2-12)31(22,29)30;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;1-24-16-6-5-13(10-17(16)25-2)15-12-22-19-18(20-7-8-23(15)19)21-11-14-4-3-9-26-14;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;1-23-10-4-7-19-17-18-21-12-14(22(18)9-8-20-17)13-5-6-15(24-2)16(11-13)25-3/h2-11,13H,12H2,1H3,(H,23,24)(H,26,28)(H2,22,29,30);1-9,11,27H,10H2,(H2,21,28)(H,23,24)(H2,22,29,30);2-11,13,24H,12H2,1H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);1-10,12,24H,11H2,(H,20,21);5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide has a molecular weight of 2279.55 g/mol, XLogP of 16.44, 36 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine;2-hydroxy-5-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide;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;N-[3-[8-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 159878146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).