N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol

C69H69N17O7S2 — CID 157227309

About N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol

N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol (PubChem CID 157227309) has the molecular formula C69H69N17O7S2 and a molecular weight of 1312.56 g/mol. Its IUPAC name is N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol.

Molecular Properties

• Compound Name: N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
• PubChem CID: 157227309
• Molecular Formula: C69H69N17O7S2
• Molecular Weight: 1312.56 g/mol
• Exact Mass: 1311.50
• IUPAC Name: N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol
• SMILES: CCC(CO)Nc1nc(-c2ccco2)cn2ccnc12.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(C(=O)NCCN(C)C)c4)cn4ccnc34)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(N)c4)cn4ccnc34)cc2)cc1
• InChI: InChI=1S/C30H31N7O3S.C25H22N6O2S.C14H16N4O2/c1-21-7-13-26(14-8-21)41(39,40)35-25-11-9-24(10-12-25)33-28-29-31-16-18-37(29)20-27(34-28)22-5-4-6-23(19-22)30(38)32-15-17-36(2)3;1-17-5-11-22(12-6-17)34(32,33)30-21-9-7-20(8-10-21)28-24-25-27-13-14-31(25)16-23(29-24)18-3-2-4-19(26)15-18;1-2-10(9-19)16-13-14-15-5-6-18(14)8-11(17-13)12-4-3-7-20-12/h4-14,16,18-20,35H,15,17H2,1-3H3,(H,32,38)(H,33,34);2-16,30H,26H2,1H3,(H,28,29);3-8,10,19H,2,9H2,1H3,(H,16,17)
• InChIKey: ATRNJUZGNVXTLJ-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 310.73 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1312.56
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?

The IUPAC name of N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol (CID 157227309) is N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol.

What is the SMILES notation for N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?

The canonical SMILES for N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol is CCC(CO)Nc1nc(-c2ccco2)cn2ccnc12.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(C(=O)NCCN(C)C)c4)cn4ccnc34)cc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(N)c4)cn4ccnc34)cc2)cc1.

What is the InChIKey of N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?

The InChIKey is ATRNJUZGNVXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3S.C25H22N6O2S.C14H16N4O2/c1-21-7-13-26(14-8-21)41(39,40)35-25-11-9-24(10-12-25)33-28-29-31-16-18-37(29)20-27(34-28)22-5-4-6-23(19-22)30(38)32-15-17-36(2)3;1-17-5-11-22(12-6-17)34(32,33)30-21-9-7-20(8-10-21)28-24-25-27-13-14-31(25)16-23(29-24)18-3-2-4-19(26)15-18;1-2-10(9-19)16-13-14-15-5-6-18(14)8-11(17-13)12-4-3-7-20-12/h4-14,16,18-20,35H,15,17H2,1-3H3,(H,32,38)(H,33,34);2-16,30H,26H2,1H3,(H,28,29);3-8,10,19H,2,9H2,1H3,(H,16,17).

What are the key properties of N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol?

N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol has a molecular weight of 1312.56 g/mol, XLogP of 11.54, 21 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;N-[2-(dimethylamino)ethyl]-3-[8-[4-[(4-methylphenyl)sulfonylamino]anilino]imidazo[1,2-a]pyrazin-6-yl]benzamide;2-[[6-(furan-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]butan-1-ol is sourced from PubChem (CID 157227309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).