sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate

C114H149BBrN24NaO19 — CID 163618011

About sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate

sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate (PubChem CID 163618011) has the molecular formula C114H149BBrN24NaO19 and a molecular weight of 2273.30 g/mol. Its IUPAC name is sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate.

Molecular Properties

• Compound Name: sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate
• PubChem CID: 163618011
• Molecular Formula: C114H149BBrN24NaO19
• Molecular Weight: 2273.30 g/mol
• Exact Mass: 2271.06
• IUPAC Name: sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate
• SMILES: Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1.C1=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)CNCC1.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.COC(=O)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.COC(=O)CCCCC(=O)O.O.[Na+].[OH-]
• InChI: InChI=1S/C28H34N6O4.C26H32N6O3.C21H24N6O.C16H28BNO4.C16H16BrN5O.C7H12O4.Na.2H2O/c1-37-26(36)7-3-2-6-25(35)33-13-4-5-21(19-33)24-20-34-14-12-29-28(34)27(31-24)30-22-8-10-23(11-9-22)32-15-17-38-18-16-32;1-26(2,3)35-25(33)32-11-4-5-19(17-32)22-18-31-12-10-27-24(31)23(29-22)28-20-6-8-21(9-7-20)30-13-15-34-16-14-30;1-2-16(14-22-7-1)19-15-27-9-8-23-21(27)20(25-19)24-17-3-5-18(6-4-17)26-10-12-28-13-11-26;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;17-14-11-22-6-5-18-16(22)15(20-14)19-12-1-3-13(4-2-12)21-7-9-23-10-8-21;1-11-7(10)5-3-2-4-6(8)9;;;/h5,8-12,14,20H,2-4,6-7,13,15-19H2,1H3,(H,30,31);5-10,12,18H,4,11,13-17H2,1-3H3,(H,28,29);2-6,8-9,15,22H,1,7,10-14H2,(H,24,25);9H,8,10-11H2,1-7H3;1-6,11H,7-10H2,(H,19,20);2-5H2,1H3,(H,8,9);;2*1H2/q;;;;;;+1;;/p-1
• InChIKey: BZEASGVYLKTNIZ-UHFFFAOYSA-M
• XLogP: 13.74
• TPSA: 480.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2273.30
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate?

The IUPAC name of sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate (CID 163618011) is sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate.

What is the SMILES notation for sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate?

The canonical SMILES for sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate is Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1.C1=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)CNCC1.CC(C)(C)OC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1.CC(C)(C)OC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.COC(=O)CCCCC(=O)N1CCC=C(c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)C1.COC(=O)CCCCC(=O)O.O.[Na+].[OH-].

What is the InChIKey of sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate?

The InChIKey is BZEASGVYLKTNIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H34N6O4.C26H32N6O3.C21H24N6O.C16H28BNO4.C16H16BrN5O.C7H12O4.Na.2H2O/c1-37-26(36)7-3-2-6-25(35)33-13-4-5-21(19-33)24-20-34-14-12-29-28(34)27(31-24)30-22-8-10-23(11-9-22)32-15-17-38-18-16-32;1-26(2,3)35-25(33)32-11-4-5-19(17-32)22-18-31-12-10-27-24(31)23(29-22)28-20-6-8-21(9-7-20)30-13-15-34-16-14-30;1-2-16(14-22-7-1)19-15-27-9-8-23-21(27)20(25-19)24-17-3-5-18(6-4-17)26-10-12-28-13-11-26;1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17;17-14-11-22-6-5-18-16(22)15(20-14)19-12-1-3-13(4-2-12)21-7-9-23-10-8-21;1-11-7(10)5-3-2-4-6(8)9;;;/h5,8-12,14,20H,2-4,6-7,13,15-19H2,1H3,(H,30,31);5-10,12,18H,4,11,13-17H2,1-3H3,(H,28,29);2-6,8-9,15,22H,1,7,10-14H2,(H,24,25);9H,8,10-11H2,1-7H3;1-6,11H,7-10H2,(H,19,20);2-5H2,1H3,(H,8,9);;2*1H2/q;;;;;;+1;;/p-1.

What are the key properties of sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate?

sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate has a molecular weight of 2273.30 g/mol, XLogP of 13.74, 26 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;tert-butyl 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-methoxy-6-oxohexanoic acid;methyl 6-[5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-6-oxohexanoate;N-(4-morpholin-4-ylphenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-amine;hydroxide;hydrate is sourced from PubChem (CID 163618011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).