N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

C62H49ClN14O5S — CID 160517277

About N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (PubChem CID 160517277) has the molecular formula C62H49ClN14O5S and a molecular weight of 1137.69 g/mol. Its IUPAC name is N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.

Molecular Properties

• Compound Name: N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
• PubChem CID: 160517277
• Molecular Formula: C62H49ClN14O5S
• Molecular Weight: 1137.69 g/mol
• Exact Mass: 1136.34
• IUPAC Name: N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
• SMILES: Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(N)c4)cn4ccnc34)cc2)cc1.O=C(O)c1ccc(-c2cn3ccnc3c(Nc3ccc(Cl)cc3)n2)cc1.Oc1ccc(-c2cn3ccnc3c(Nc3ccccc3)n2)cc1
• InChI: InChI=1S/C25H22N6O2S.C19H13ClN4O2.C18H14N4O/c1-17-5-11-22(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;20-14-5-7-15(8-6-14)22-17-18-21-9-10-24(18)11-16(23-17)12-1-3-13(4-2-12)19(25)26;23-15-8-6-13(7-9-15)16-12-22-11-10-19-18(22)17(21-16)20-14-4-2-1-3-5-14/h2-16,30H,26H2,1H3,(H,28,29);1-11H,(H,22,23)(H,25,26);1-12,23H,(H,20,21)
• InChIKey: QTUWBVPCHLYRQY-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 256.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1137.69
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

The IUPAC name of N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (CID 160517277) is N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.

What is the SMILES notation for N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

The canonical SMILES for N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4cccc(N)c4)cn4ccnc34)cc2)cc1.O=C(O)c1ccc(-c2cn3ccnc3c(Nc3ccc(Cl)cc3)n2)cc1.Oc1ccc(-c2cn3ccnc3c(Nc3ccccc3)n2)cc1.

What is the InChIKey of N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

The InChIKey is QTUWBVPCHLYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S.C19H13ClN4O2.C18H14N4O/c1-17-5-11-22(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;20-14-5-7-15(8-6-14)22-17-18-21-9-10-24(18)11-16(23-17)12-1-3-13(4-2-12)19(25)26;23-15-8-6-13(7-9-15)16-12-22-11-10-19-18(22)17(21-16)20-14-4-2-1-3-5-14/h2-16,30H,26H2,1H3,(H,28,29);1-11H,(H,22,23)(H,25,26);1-12,23H,(H,20,21).

What are the key properties of N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?

N-[4-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-4-methylbenzenesulfonamide;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid has a molecular weight of 1137.69 g/mol, XLogP of 13.17, 13 rotatable bonds, 7 hydrogen bond donors, and 17 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;4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenol;4-[8-(4-chloroanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is sourced from PubChem (CID 160517277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).