sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide

C79H103BBrF5N13NaO9 — CID 162173121

About sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide

sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide (PubChem CID 162173121) has the molecular formula C79H103BBrF5N13NaO9 and a molecular weight of 1587.47 g/mol. Its IUPAC name is sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide
• PubChem CID: 162173121
• Molecular Formula: C79H103BBrF5N13NaO9
• Molecular Weight: 1587.47 g/mol
• Exact Mass: 1585.71
• IUPAC Name: sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(F)c4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(NC)c4)ccn23)CC1.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.OB(O)c1ccnc(F)c1.[Na+].[OH-]
• InChI: InChI=1S/C27H37N5O2.C26H33FN4O2.C21H27BrF3N3O2.C5H5BFNO2.Na.H2O/c1-7-30-12-14-31(15-13-30)20(5)26-19(4)23(27(33)34-18(2)3)17-24-22(9-11-32(24)26)21-8-10-29-25(16-21)28-6;1-6-29-11-13-30(14-12-29)19(5)25-18(4)22(26(32)33-17(2)3)16-23-21(8-10-31(23)25)20-7-9-28-24(27)15-20;1-13(2)30-20(29)16-11-18-17(22)5-6-28(18)19(14(16)3)15(4)27-9-7-26(8-10-27)12-21(23,24)25;7-5-3-4(6(9)10)1-2-8-5;;/h8-11,16-18,20H,7,12-15H2,1-6H3,(H,28,29);7-10,15-17,19H,6,11-14H2,1-5H3;5-6,11,13,15H,7-10,12H2,1-4H3;1-3,9-10H;;1H2/q;;;;+1;/p-1
• InChIKey: ZOAWSRQXRGGEMG-UHFFFAOYSA-M
• XLogP: 9.87
• TPSA: 232.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.47
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide?

The IUPAC name of sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide (CID 162173121) is sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide.

What is the SMILES notation for sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide?

The canonical SMILES for sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide is CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(F)c4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(NC)c4)ccn23)CC1.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.OB(O)c1ccnc(F)c1.[Na+].[OH-].

What is the InChIKey of sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide?

The InChIKey is ZOAWSRQXRGGEMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H37N5O2.C26H33FN4O2.C21H27BrF3N3O2.C5H5BFNO2.Na.H2O/c1-7-30-12-14-31(15-13-30)20(5)26-19(4)23(27(33)34-18(2)3)17-24-22(9-11-32(24)26)21-8-10-29-25(16-21)28-6;1-6-29-11-13-30(14-12-29)19(5)25-18(4)22(26(32)33-17(2)3)16-23-21(8-10-31(23)25)20-7-9-28-24(27)15-20;1-13(2)30-20(29)16-11-18-17(22)5-6-28(18)19(14(16)3)15(4)27-9-7-26(8-10-27)12-21(23,24)25;7-5-3-4(6(9)10)1-2-8-5;;/h8-11,16-18,20H,7,12-15H2,1-6H3,(H,28,29);7-10,15-17,19H,6,11-14H2,1-5H3;5-6,11,13,15H,7-10,12H2,1-4H3;1-3,9-10H;;1H2/q;;;;+1;/p-1.

What are the key properties of sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide?

sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide has a molecular weight of 1587.47 g/mol, XLogP of 9.87, 19 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2-fluoro-4-pyridinyl)boronic acid;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-fluoro-4-pyridinyl)-6-methylindolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 162173121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).