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

C122H158BBrClF6N20NaO14 — CID 159813741

About sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide (PubChem CID 159813741) has the molecular formula C122H158BBrClF6N20NaO14 and a molecular weight of 2391.88 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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide
• PubChem CID: 159813741
• Molecular Formula: C122H158BBrClF6N20NaO14
• Molecular Weight: 2391.88 g/mol
• Exact Mass: 2389.10
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide
• SMILES: CCc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1.CCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)O)cc23)ccn1.CCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)ccn1.CCc1cc(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/C33H39F3N6O3.C28H38N4O2.C25H32N4O2.C21H27BrF3N3O2.C8H11ClN2O2.C7H10BNO2.Na.H2O/c1-6-24-16-23(7-9-37-24)25-8-10-42-28(25)17-26(31(43)38-18-27-29(45-5)15-20(2)39-32(27)44)21(3)30(42)22(4)41-13-11-40(12-14-41)19-33(34,35)36;1-7-23-17-22(9-11-29-23)24-10-12-32-26(24)18-25(28(33)34-19(3)4)20(5)27(32)21(6)31-15-13-30(8-2)14-16-31;1-5-20-15-19(7-9-26-20)21-8-10-29-23(21)16-22(25(30)31)17(3)24(29)18(4)28-13-11-27(6-2)12-14-28;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;1-2-7-5-6(8(10)11)3-4-9-7;;/h7-10,15-17,22H,6,11-14,18-19H2,1-5H3,(H,38,43)(H,39,44);9-12,17-19,21H,7-8,13-16H2,1-6H3;7-10,15-16,18H,5-6,11-14H2,1-4H3,(H,30,31);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);3-5,10-11H,2H2,1H3;;1H2/q;;;;;;+1;/p-1
• InChIKey: NLIWQYSGPOUILP-UHFFFAOYSA-M
• XLogP: 16.36
• TPSA: 380.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.88
LogP ≤ 5	16.36
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]-1-(2-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide (CID 159813741) is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(2-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide is CCc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1.CCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)O)cc23)ccn1.CCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)ccn1.CCc1cc(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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide?

The InChIKey is NLIWQYSGPOUILP-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H39F3N6O3.C28H38N4O2.C25H32N4O2.C21H27BrF3N3O2.C8H11ClN2O2.C7H10BNO2.Na.H2O/c1-6-24-16-23(7-9-37-24)25-8-10-42-28(25)17-26(31(43)38-18-27-29(45-5)15-20(2)39-32(27)44)21(3)30(42)22(4)41-13-11-40(12-14-41)19-33(34,35)36;1-7-23-17-22(9-11-29-23)24-10-12-32-26(24)18-25(28(33)34-19(3)4)20(5)27(32)21(6)31-15-13-30(8-2)14-16-31;1-5-20-15-19(7-9-26-20)21-8-10-29-23(21)16-22(25(30)31)17(3)24(29)18(4)28-13-11-27(6-2)12-14-28;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;1-2-7-5-6(8(10)11)3-4-9-7;;/h7-10,15-17,22H,6,11-14,18-19H2,1-5H3,(H,38,43)(H,39,44);9-12,17-19,21H,7-8,13-16H2,1-6H3;7-10,15-16,18H,5-6,11-14H2,1-4H3,(H,30,31);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);3-5,10-11H,2H2,1H3;;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide has a molecular weight of 2391.88 g/mol, XLogP of 16.36, 32 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]-1-(2-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylic acid;(2-ethyl-4-pyridinyl)boronic acid;1-(2-ethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;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-ethyl-4-pyridinyl)-6-methylindolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 159813741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).