sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide

C88H107Cl2N16NaO14 — CID 162035714

About sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide (PubChem CID 162035714) has the molecular formula C88H107Cl2N16NaO14 and a molecular weight of 1706.82 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide
• PubChem CID: 162035714
• Molecular Formula: C88H107Cl2N16NaO14
• Molecular Weight: 1706.82 g/mol
• Exact Mass: 1704.74
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide
• SMILES: CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccnn2C)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccnn1C.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccnn3C)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.Cn1nccc1CCl.[Na+].[OH-]
• InChI: InChI=1S/C25H29N5O3.C19H23N3O3.C17H19N3O3.C14H17NO3.C8H11ClN2O.C5H7ClN2.Na.H2O/c1-15-11-16(2)28-25(32)22(15)13-26-24(31)21-12-19-7-6-10-30(19)23(17(21)3)18(4)33-14-20-8-9-27-29(20)5;1-5-24-19(23)17-11-15-7-6-10-22(15)18(13(17)2)14(3)25-12-16-8-9-20-21(16)4;1-11-15(17(21)22)9-13-5-4-8-20(13)16(11)12(2)23-10-14-6-7-18-19(14)3;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;1-8-5(4-6)2-3-7-8;;/h6-12,18H,13-14H2,1-5H3,(H,26,31)(H,28,32);6-11,14H,5,12H2,1-4H3;4-9,12H,10H2,1-3H3,(H,21,22);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);2-3H,4H2,1H3;;1H2/q;;;;;;+1;/p-1
• InChIKey: YWPQPDJXBQGZDG-UHFFFAOYSA-M
• XLogP: 11.59
• TPSA: 363.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1706.82
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide (CID 162035714) is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide?

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide is CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccnn2C)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccnn1C.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccnn3C)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.Cn1nccc1CCl.[Na+].[OH-].

What is the InChIKey of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide?

The InChIKey is YWPQPDJXBQGZDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H29N5O3.C19H23N3O3.C17H19N3O3.C14H17NO3.C8H11ClN2O.C5H7ClN2.Na.H2O/c1-15-11-16(2)28-25(32)22(15)13-26-24(31)21-12-19-7-6-10-30(19)23(17(21)3)18(4)33-14-20-8-9-27-29(20)5;1-5-24-19(23)17-11-15-7-6-10-22(15)18(13(17)2)14(3)25-12-16-8-9-20-21(16)4;1-11-15(17(21)22)9-13-5-4-8-20(13)16(11)12(2)23-10-14-6-7-18-19(14)3;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;1-8-5(4-6)2-3-7-8;;/h6-12,18H,13-14H2,1-5H3,(H,26,31)(H,28,32);6-11,14H,5,12H2,1-4H3;4-9,12H,10H2,1-3H3,(H,21,22);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);2-3H,4H2,1H3;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide?

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide has a molecular weight of 1706.82 g/mol, XLogP of 11.59, 24 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;5-(chloromethyl)-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylate;6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxylic acid;hydroxide is sourced from PubChem (CID 162035714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).