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

C118H154BBrClF6N24NaO14 — CID 158764852

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

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide (PubChem CID 158764852) has the molecular formula C118H154BBrClF6N24NaO14 and a molecular weight of 2395.83 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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide
• PubChem CID: 158764852
• Molecular Formula: C118H154BBrClF6N24NaO14
• Molecular Weight: 2395.83 g/mol
• Exact Mass: 2393.08
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(NC)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(NC)nc4)ccn23)CC1.CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)cn1.CNc1ccc(B(O)O)cn1.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/C32H38F3N7O3.C27H37N5O2.C24H31N5O2.C21H27BrF3N3O2.C8H11ClN2O2.C6H9BN2O2.Na.H2O/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35;1-7-30-12-14-31(15-13-30)20(5)26-19(4)23(27(33)34-18(2)3)16-24-22(10-11-32(24)26)21-8-9-25(28-6)29-17-21;1-5-27-10-12-28(13-11-27)17(3)23-16(2)20(24(30)31)14-21-19(8-9-29(21)23)18-6-7-22(25-4)26-15-18;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;1-8-6-3-2-5(4-9-6)7(10)11;;/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44);8-11,16-18,20H,7,12-15H2,1-6H3,(H,28,29);6-9,14-15,17H,5,10-13H2,1-4H3,(H,25,26)(H,30,31);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);2-4,10-11H,1H3,(H,8,9);;1H2/q;;;;;;+1;/p-1
• InChIKey: IPCYDMALUDNUMS-UHFFFAOYSA-M
• XLogP: 14.27
• TPSA: 428.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.83
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	11
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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide (CID 158764852) is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide is CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccc(NC)nc4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(NC)nc4)ccn23)CC1.CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)cn1.CNc1ccc(B(O)O)cn1.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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide?

The InChIKey is IPCYDMALUDNUMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H38F3N7O3.C27H37N5O2.C24H31N5O2.C21H27BrF3N3O2.C8H11ClN2O2.C6H9BN2O2.Na.H2O/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35;1-7-30-12-14-31(15-13-30)20(5)26-19(4)23(27(33)34-18(2)3)16-24-22(10-11-32(24)26)21-8-9-25(28-6)29-17-21;1-5-27-10-12-28(13-11-27)17(3)23-16(2)20(24(30)31)14-21-19(8-9-29(21)23)18-6-7-22(25-4)26-15-18;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;1-8-6-3-2-5(4-9-6)7(10)11;;/h6-9,14-16,21H,10-13,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44);8-11,16-18,20H,7,12-15H2,1-6H3,(H,28,29);6-9,14-15,17H,5,10-13H2,1-4H3,(H,25,26)(H,30,31);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);2-4,10-11H,1H3,(H,8,9);;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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide?

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide has a molecular weight of 2395.83 g/mol, XLogP of 14.27, 32 rotatable bonds, 11 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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;[6-(methylamino)-3-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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 158764852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).