sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate

C147H198B3Br4N24NaO21 — CID 158430687

About sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate

sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate (PubChem CID 158430687) has the molecular formula C147H198B3Br4N24NaO21 and a molecular weight of 3012.39 g/mol. Its IUPAC name is sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate.

Molecular Properties

• Compound Name: sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate
• PubChem CID: 158430687
• Molecular Formula: C147H198B3Br4N24NaO21
• Molecular Weight: 3012.39 g/mol
• Exact Mass: 3007.21
• IUPAC Name: sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate
• SMILES: Brc1ccc2c(c1)CN=C2.Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)CCCCCCBr.CCOC(=O)CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.CCOC(=O)CCCCCCn1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCOC(=O)CCCCCCn1ncc2ccc(Br)cc21.O.O=C(O)CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.[Na+].[OH-]
• InChI: InChI=1S/C32H37N7O3.C30H33N7O3.C22H33BN2O4.C16H16BrN5O.C16H21BrN2O2.C12H24B2O4.C9H17BrO2.C8H6BrN.2CH4.Na.2H2O/c1-2-42-30(40)7-5-3-4-6-15-39-29-21-24(8-9-25(29)22-34-39)28-23-38-16-14-33-32(38)31(36-28)35-26-10-12-27(13-11-26)37-17-19-41-20-18-37;38-28(39)5-3-1-2-4-13-37-27-19-22(6-7-23(27)20-32-37)26-21-36-14-12-31-30(36)29(34-26)33-24-8-10-25(11-9-24)35-15-17-40-18-16-35;1-6-27-20(26)11-9-7-8-10-14-25-19-15-18(13-12-17(19)16-24-25)23-28-21(2,3)22(4,5)29-23;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;1-2-21-16(20)7-5-3-4-6-10-19-15-11-14(17)9-8-13(15)12-18-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-12-9(11)7-5-3-4-6-8-10;9-8-2-1-6-4-10-5-7(6)3-8;;;;;/h8-14,16,21-23H,2-7,15,17-20H2,1H3,(H,35,36);6-12,14,19-21H,1-5,13,15-18H2,(H,33,34)(H,38,39);12-13,15-16H,6-11,14H2,1-5H3;1-6,11H,7-10H2,(H,19,20);8-9,11-12H,2-7,10H2,1H3;1-8H3;2-8H2,1H3;1-4H,5H2;2*1H4;;2*1H2/q;;;;;;;;;;+1;;/p-1
• InChIKey: CWFHLYVJTKAAOM-UHFFFAOYSA-M
• XLogP: 27.24
• TPSA: 507.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 51
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3012.39
LogP ≤ 5	27.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate?

The IUPAC name of sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate (CID 158430687) is sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate.

What is the SMILES notation for sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate?

The canonical SMILES for sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate is Brc1ccc2c(c1)CN=C2.Brc1cn2ccnc2c(Nc2ccc(N3CCOCC3)cc2)n1.C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)CCCCCCBr.CCOC(=O)CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.CCOC(=O)CCCCCCn1ncc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCOC(=O)CCCCCCn1ncc2ccc(Br)cc21.O.O=C(O)CCCCCCn1ncc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc21.[Na+].[OH-].

What is the InChIKey of sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate?

The InChIKey is CWFHLYVJTKAAOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37N7O3.C30H33N7O3.C22H33BN2O4.C16H16BrN5O.C16H21BrN2O2.C12H24B2O4.C9H17BrO2.C8H6BrN.2CH4.Na.2H2O/c1-2-42-30(40)7-5-3-4-6-15-39-29-21-24(8-9-25(29)22-34-39)28-23-38-16-14-33-32(38)31(36-28)35-26-10-12-27(13-11-26)37-17-19-41-20-18-37;38-28(39)5-3-1-2-4-13-37-27-19-22(6-7-23(27)20-32-37)26-21-36-14-12-31-30(36)29(34-26)33-24-8-10-25(11-9-24)35-15-17-40-18-16-35;1-6-27-20(26)11-9-7-8-10-14-25-19-15-18(13-12-17(19)16-24-25)23-28-21(2,3)22(4,5)29-23;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;1-2-21-16(20)7-5-3-4-6-10-19-15-11-14(17)9-8-13(15)12-18-19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-12-9(11)7-5-3-4-6-8-10;9-8-2-1-6-4-10-5-7(6)3-8;;;;;/h8-14,16,21-23H,2-7,15,17-20H2,1H3,(H,35,36);6-12,14,19-21H,1-5,13,15-18H2,(H,33,34)(H,38,39);12-13,15-16H,6-11,14H2,1-5H3;1-6,11H,7-10H2,(H,19,20);8-9,11-12H,2-7,10H2,1H3;1-8H3;2-8H2,1H3;1-4H,5H2;2*1H4;;2*1H2/q;;;;;;;;;;+1;;/p-1.

What are the key properties of sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate?

sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate has a molecular weight of 3012.39 g/mol, XLogP of 27.24, 51 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate is sourced from PubChem (CID 158430687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).