sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide

C115H142BBrCl5F6N20NaO14 — CID 158361446

About sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide (PubChem CID 158361446) has the molecular formula C115H142BBrCl5F6N20NaO14 and a molecular weight of 2433.49 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide
• PubChem CID: 158361446
• Molecular Formula: C115H142BBrCl5F6N20NaO14
• Molecular Weight: 2433.49 g/mol
• Exact Mass: 2428.85
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide
• SMILES: CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccnc(Cl)c4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(Cl)c4)ccn23)CC1.COc1cc(C)[nH]c(=O)c1C(C)NC(=O)c1cc2c(-c3ccnc(Cl)c3)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.OB(O)c1ccc[nH+]c1.[Cl-].[Na+].[OH-]
• InChI: InChI=1S/C32H36ClF3N6O3.C26H33ClN4O2.C23H27ClN4O2.C21H27BrF3N3O2.C8H11ClN2O2.C5H6BNO2.ClH.Na.H2O/c1-18-14-26(45-5)28(31(44)38-18)20(3)39-30(43)24-16-25-23(22-6-8-37-27(33)15-22)7-9-42(25)29(19(24)2)21(4)41-12-10-40(11-13-41)17-32(34,35)36;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;1-4-26-9-11-27(12-10-26)16(3)22-15(2)19(23(29)30)14-20-18(6-8-28(20)22)17-5-7-25-21(24)13-17;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;8-6(9)5-2-1-3-7-4-5;;;/h6-9,14-16,20-21H,10-13,17H2,1-5H3,(H,38,44)(H,39,43);7-10,15-17,19H,6,11-14H2,1-5H3;5-8,13-14,16H,4,9-12H2,1-3H3,(H,29,30);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);1-4,8-9H;1H;;1H2/q;;;;;;;+1;/p-1
• InChIKey: RTGVFKCDVMDQDQ-UHFFFAOYSA-M
• XLogP: 13.05
• TPSA: 382.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.49
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide (CID 158361446) is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide.

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

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide is CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3c(-c4ccnc(Cl)c4)ccn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccnc(Cl)c4)ccn23)CC1.COc1cc(C)[nH]c(=O)c1C(C)NC(=O)c1cc2c(-c3ccnc(Cl)c3)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.OB(O)c1ccc[nH+]c1.[Cl-].[Na+].[OH-].

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

The InChIKey is RTGVFKCDVMDQDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H36ClF3N6O3.C26H33ClN4O2.C23H27ClN4O2.C21H27BrF3N3O2.C8H11ClN2O2.C5H6BNO2.ClH.Na.H2O/c1-18-14-26(45-5)28(31(44)38-18)20(3)39-30(43)24-16-25-23(22-6-8-37-27(33)15-22)7-9-42(25)29(19(24)2)21(4)41-12-10-40(11-13-41)17-32(34,35)36;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;1-4-26-9-11-27(12-10-26)16(3)22-15(2)19(23(29)30)14-20-18(6-8-28(20)22)17-5-7-25-21(24)13-17;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;8-6(9)5-2-1-3-7-4-5;;;/h6-9,14-16,20-21H,10-13,17H2,1-5H3,(H,38,44)(H,39,43);7-10,15-17,19H,6,11-14H2,1-5H3;5-8,13-14,16H,4,9-12H2,1-3H3,(H,29,30);5-6,11,13,15H,7-10,12H2,1-4H3;3,10H,4H2,1-2H3,(H,11,12);1-4,8-9H;1H;;1H2/q;;;;;;;+1;/p-1.

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

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide has a molecular weight of 2433.49 g/mol, XLogP of 13.05, 28 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(2-chloro-4-pyridinyl)-N-[1-(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-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 1-(2-chloro-4-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;pyridin-1-ium-3-ylboronic acid;chloride;hydroxide is sourced from PubChem (CID 158361446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).