sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide

C118H150BBrClF6N20NaO18 — CID 159788165

About sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide (PubChem CID 159788165) has the molecular formula C118H150BBrClF6N20NaO18 and a molecular weight of 2399.77 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide
• PubChem CID: 159788165
• Molecular Formula: C118H150BBrClF6N20NaO18
• Molecular Weight: 2399.77 g/mol
• Exact Mass: 2397.02
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccnc(OC)c4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(OC)c4)ccn23)CC1.COc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1.COc1cc(B(O)O)ccn1.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.[Na+].[OH-]
• InChI: InChI=1S/C32H37F3N6O4.C27H36N4O3.C24H30N4O3.C21H27BrF3N3O2.C8H11ClN2O2.C6H8BNO3.Na.H2O/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35;1-7-29-12-14-30(15-13-29)20(5)26-19(4)23(27(32)34-18(2)3)17-24-22(9-11-31(24)26)21-8-10-28-25(16-21)33-6;1-5-26-10-12-27(13-11-26)17(3)23-16(2)20(24(29)30)15-21-19(7-9-28(21)23)18-6-8-25-22(14-18)31-4;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;1-5-3-7(13-2)6(4-10-9)8(12)11-5;1-11-6-4-5(7(9)10)2-3-8-6;;/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,37,42)(H,38,43);8-11,16-18,20H,7,12-15H2,1-6H3;6-9,14-15,17H,5,10-13H2,1-4H3,(H,29,30);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);2-4,9-10H,1H3;;1H2/q;;;;;;+1;/p-1
• InChIKey: NIFKTEOOLZPVOL-UHFFFAOYSA-M
• XLogP: 14.14
• TPSA: 417.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2399.77
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide (CID 159788165) is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide.

What is the SMILES notation for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide?

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide is CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccnc(OC)c4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(OC)c4)ccn23)CC1.COc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1.COc1cc(B(O)O)ccn1.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.[Na+].[OH-].

What is the InChIKey of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide?

The InChIKey is NIFKTEOOLZPVOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H37F3N6O4.C27H36N4O3.C24H30N4O3.C21H27BrF3N3O2.C8H11ClN2O2.C6H8BNO3.Na.H2O/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35;1-7-29-12-14-30(15-13-29)20(5)26-19(4)23(27(32)34-18(2)3)17-24-22(9-11-31(24)26)21-8-10-28-25(16-21)33-6;1-5-26-10-12-27(13-11-26)17(3)23-16(2)20(24(29)30)15-21-19(7-9-28(21)23)18-6-8-25-22(14-18)31-4;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;1-5-3-7(13-2)6(4-10-9)8(12)11-5;1-11-6-4-5(7(9)10)2-3-8-6;;/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,37,42)(H,38,43);8-11,16-18,20H,7,12-15H2,1-6H3;6-9,14-15,17H,5,10-13H2,1-4H3,(H,29,30);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);2-4,9-10H,1H3;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide?

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide has a molecular weight of 2399.77 g/mol, XLogP of 14.14, 32 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methoxy-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-methoxy-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 159788165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).