aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone

C93H86BrN25O5 — CID 167618744

About aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone

aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone (PubChem CID 167618744) has the molecular formula C93H86BrN25O5 and a molecular weight of 1713.78 g/mol. Its IUPAC name is aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone
• PubChem CID: 167618744
• Molecular Formula: C93H86BrN25O5
• Molecular Weight: 1713.78 g/mol
• Exact Mass: 1711.64
• IUPAC Name: aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone
• SMILES: COC(=O)c1cnc2c(NCc3cnc(-c4ccnc(C)c4)c(C)c3)nccn12.Cc1cc(-c2ncc(CNc3nccn4c(Br)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C(=O)Cc5ccccc5)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C(=O)O)cnc34)cc2C)ccn1.Nc1ccccc1
• InChI: InChI=1S/C27H24N6O.C21H20N6O2.C20H18N6O2.C19H17BrN6.C6H7N/c1-18-12-21(15-30-25(18)22-8-9-28-19(2)13-22)16-31-26-27-32-17-23(33(27)11-10-29-26)24(34)14-20-6-4-3-5-7-20;1-13-8-15(10-24-18(13)16-4-5-22-14(2)9-16)11-25-19-20-26-12-17(21(28)29-3)27(20)7-6-23-19;1-12-7-14(9-23-17(12)15-3-4-21-13(2)8-15)10-24-18-19-25-11-16(20(27)28)26(19)6-5-22-18;1-12-7-14(9-23-17(12)15-3-4-21-13(2)8-15)10-24-18-19-25-11-16(20)26(19)6-5-22-18;7-6-4-2-1-3-5-6/h3-13,15,17H,14,16H2,1-2H3,(H,29,31);4-10,12H,11H2,1-3H3,(H,23,25);3-9,11H,10H2,1-2H3,(H,22,24)(H,27,28);3-9,11H,10H2,1-2H3,(H,22,24);1-5H,7H2
• InChIKey: MDAOHLYZKNVAIY-UHFFFAOYSA-N
• XLogP: 16.60
• TPSA: 378.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1713.78
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone?

The IUPAC name of aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone (CID 167618744) is aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone.

What is the SMILES notation for aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone?

The canonical SMILES for aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone is COC(=O)c1cnc2c(NCc3cnc(-c4ccnc(C)c4)c(C)c3)nccn12.Cc1cc(-c2ncc(CNc3nccn4c(Br)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C(=O)Cc5ccccc5)cnc34)cc2C)ccn1.Cc1cc(-c2ncc(CNc3nccn4c(C(=O)O)cnc34)cc2C)ccn1.Nc1ccccc1.

What is the InChIKey of aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone?

The InChIKey is MDAOHLYZKNVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O.C21H20N6O2.C20H18N6O2.C19H17BrN6.C6H7N/c1-18-12-21(15-30-25(18)22-8-9-28-19(2)13-22)16-31-26-27-32-17-23(33(27)11-10-29-26)24(34)14-20-6-4-3-5-7-20;1-13-8-15(10-24-18(13)16-4-5-22-14(2)9-16)11-25-19-20-26-12-17(21(28)29-3)27(20)7-6-23-19;1-12-7-14(9-23-17(12)15-3-4-21-13(2)8-15)10-24-18-19-25-11-16(20(27)28)26(19)6-5-22-18;1-12-7-14(9-23-17(12)15-3-4-21-13(2)8-15)10-24-18-19-25-11-16(20)26(19)6-5-22-18;7-6-4-2-1-3-5-6/h3-13,15,17H,14,16H2,1-2H3,(H,29,31);4-10,12H,11H2,1-3H3,(H,23,25);3-9,11H,10H2,1-2H3,(H,22,24)(H,27,28);3-9,11H,10H2,1-2H3,(H,22,24);1-5H,7H2.

What are the key properties of aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone?

aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone has a molecular weight of 1713.78 g/mol, XLogP of 16.60, 21 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;3-bromo-N-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate;8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylic acid;1-[8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]-2-phenylethanone is sourced from PubChem (CID 167618744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).