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

C82H103ClF9N22NaO10 — CID 161410186

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

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide (PubChem CID 161410186) has the molecular formula C82H103ClF9N22NaO10 and a molecular weight of 1786.29 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
• PubChem CID: 161410186
• Molecular Formula: C82H103ClF9N22NaO10
• Molecular Weight: 1786.29 g/mol
• Exact Mass: 1784.77
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ncnn3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)O)cc2c(-c3ncnn3C)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cc1c(C(=O)OC(C)C)cc2c(-c3ncnn3C)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.[Na+].[OH-]
• InChI: InChI=1S/C29H35F3N8O3.C24H31F3N6O2.C21H25F3N6O2.C8H11ClN2O2.Na.H2O/c1-17-12-24(43-5)22(28(42)36-17)14-33-27(41)21-13-23-20(26-34-16-35-37(26)4)6-7-40(23)25(18(21)2)19(3)39-10-8-38(9-11-39)15-29(30,31)32;1-15(2)35-23(34)19-12-20-18(22-28-14-29-30(22)5)6-7-33(20)21(16(19)3)17(4)32-10-8-31(9-11-32)13-24(25,26)27;1-13-16(20(31)32)10-17-15(19-25-12-26-27(19)3)4-5-30(17)18(13)14(2)29-8-6-28(7-9-29)11-21(22,23)24;1-5-3-7(13-2)6(4-10-9)8(12)11-5;;/h6-7,12-13,16,19H,8-11,14-15H2,1-5H3,(H,33,41)(H,36,42);6-7,12,14-15,17H,8-11,13H2,1-5H3;4-5,10,12,14H,6-9,11H2,1-3H3,(H,31,32);3,10H,4H2,1-2H3,(H,11,12);;1H2/q;;;;+1;/p-1
• InChIKey: VVJACUMAMTYQQP-UHFFFAOYSA-M
• XLogP: 7.81
• TPSA: 343.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1786.29
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'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;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide (CID 161410186) is sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide.

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

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(-c3ncnn3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.COc1cc(C)[nH]c(=O)c1CNCl.Cc1c(C(=O)O)cc2c(-c3ncnn3C)ccn2c1C(C)N1CCN(CC(F)(F)F)CC1.Cc1c(C(=O)OC(C)C)cc2c(-c3ncnn3C)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;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide?

The InChIKey is VVJACUMAMTYQQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H35F3N8O3.C24H31F3N6O2.C21H25F3N6O2.C8H11ClN2O2.Na.H2O/c1-17-12-24(43-5)22(28(42)36-17)14-33-27(41)21-13-23-20(26-34-16-35-37(26)4)6-7-40(23)25(18(21)2)19(3)39-10-8-38(9-11-39)15-29(30,31)32;1-15(2)35-23(34)19-12-20-18(22-28-14-29-30(22)5)6-7-33(20)21(16(19)3)17(4)32-10-8-31(9-11-32)13-24(25,26)27;1-13-16(20(31)32)10-17-15(19-25-12-26-27(19)3)4-5-30(17)18(13)14(2)29-8-6-28(7-9-29)11-21(22,23)24;1-5-3-7(13-2)6(4-10-9)8(12)11-5;;/h6-7,12-13,16,19H,8-11,14-15H2,1-5H3,(H,33,41)(H,36,42);6-7,12,14-15,17H,8-11,13H2,1-5H3;4-5,10,12,14H,6-9,11H2,1-3H3,(H,31,32);3,10H,4H2,1-2H3,(H,11,12);;1H2/q;;;;+1;/p-1.

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

sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide has a molecular weight of 1786.29 g/mol, XLogP of 7.81, 22 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 161410186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).