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

C119H152BBrClF6N20NaO14 — CID 158361913

About sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide (PubChem CID 158361913) has the molecular formula C119H152BBrClF6N20NaO14 and a molecular weight of 2349.80 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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide
• PubChem CID: 158361913
• Molecular Formula: C119H152BBrClF6N20NaO14
• Molecular Weight: 2349.80 g/mol
• Exact Mass: 2347.06
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4cccnc4C)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccnc4C)ccn23)CC1.COc1cc(C)[nH]c(=O)c1C(C)NC(=O)c1cc2c(-c3cccnc3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cc1ncccc1B(O)O.[Na+].[OH-]
• InChI: InChI=1S/C33H39F3N6O3.C27H36N4O2.C24H30N4O2.C21H27BrF3N3O2.C8H11ClN2O2.C6H8BNO2.Na.H2O/c1-19-16-28(45-6)29(32(44)38-19)22(4)39-31(43)26-17-27-25(24-8-7-10-37-21(24)3)9-11-42(27)30(20(26)2)23(5)41-14-12-40(13-15-41)18-33(34,35)36;1-7-29-13-15-30(16-14-29)21(6)26-19(4)24(27(32)33-18(2)3)17-25-23(10-12-31(25)26)22-9-8-11-28-20(22)5;1-5-26-11-13-27(14-12-26)18(4)23-16(2)21(24(29)30)15-22-20(8-10-28(22)23)19-7-6-9-25-17(19)3;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;1-5-6(7(9)10)3-2-4-8-5;;/h7-11,16-17,22-23H,12-15,18H2,1-6H3,(H,38,44)(H,39,43);8-12,17-18,21H,7,13-16H2,1-6H3;6-10,15,18H,5,11-14H2,1-4H3,(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: GTOQKTNDELEQKY-UHFFFAOYSA-M
• XLogP: 15.90
• TPSA: 380.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.80
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide (CID 158361913) is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide is CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4cccnc4C)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccnc4C)ccn23)CC1.COc1cc(C)[nH]c(=O)c1C(C)NC(=O)c1cc2c(-c3cccnc3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)OC(C)C)cc2c(Br)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cc1ncccc1B(O)O.[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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide?

The InChIKey is GTOQKTNDELEQKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H39F3N6O3.C27H36N4O2.C24H30N4O2.C21H27BrF3N3O2.C8H11ClN2O2.C6H8BNO2.Na.H2O/c1-19-16-28(45-6)29(32(44)38-19)22(4)39-31(43)26-17-27-25(24-8-7-10-37-21(24)3)9-11-42(27)30(20(26)2)23(5)41-14-12-40(13-15-41)18-33(34,35)36;1-7-29-13-15-30(16-14-29)21(6)26-19(4)24(27(32)33-18(2)3)17-25-23(10-12-31(25)26)22-9-8-11-28-20(22)5;1-5-26-11-13-27(14-12-26)18(4)23-16(2)21(24(29)30)15-22-20(8-10-28(22)23)19-7-6-9-25-17(19)3;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;1-5-6(7(9)10)3-2-4-8-5;;/h7-11,16-17,22-23H,12-15,18H2,1-6H3,(H,38,44)(H,39,43);8-12,17-18,21H,7,13-16H2,1-6H3;6-10,15,18H,5,11-14H2,1-4H3,(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]-6-methyl-1-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide has a molecular weight of 2349.80 g/mol, XLogP of 15.90, 28 rotatable bonds, 7 hydrogen bond donors, and 30 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-(2-methyl-3-pyridinyl)indolizine-7-carboxylic acid;N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;(2-methyl-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-(2-methyl-3-pyridinyl)indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 158361913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).