sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide

C108H152ClN12NaO19 — CID 158561645

About sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide (PubChem CID 158561645) has the molecular formula C108H152ClN12NaO19 and a molecular weight of 1980.91 g/mol. Its IUPAC name is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide
• PubChem CID: 158561645
• Molecular Formula: C108H152ClN12NaO19
• Molecular Weight: 1980.91 g/mol
• Exact Mass: 1979.09
• IUPAC Name: sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide
• SMILES: C.CO.Cc1c(C(=O)O)cc2cc(C3CCOCC3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(C3=CCOCC3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(C3CCOCC3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(C4CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-]
• InChI: InChI=1S/C29H38N4O4.C24H34N2O4.C24H32N2O4.C21H28N2O4.C8H11ClN2O.CH4O.CH4.Na.H2O/c1-18-13-19(2)31-29(35)26(18)16-30-28(34)25-15-24-14-23(22-5-9-36-10-6-22)17-33(24)27(20(25)3)21(4)32-7-11-37-12-8-32;2*1-16(2)30-24(27)22-14-21-13-20(19-5-9-28-10-6-19)15-26(21)23(17(22)3)18(4)25-7-11-29-12-8-25;1-14-19(21(24)25)12-18-11-17(16-3-7-26-8-4-16)13-23(18)20(14)15(2)22-5-9-27-10-6-22;1-5-3-6(2)11-8(12)7(5)4-10-9;1-2;;;/h13-15,17,21-22H,5-12,16H2,1-4H3,(H,30,34)(H,31,35);13-16,18-19H,5-12H2,1-4H3;5,13-16,18H,6-12H2,1-4H3;11-13,15-16H,3-10H2,1-2H3,(H,24,25);3,10H,4H2,1-2H3,(H,11,12);2H,1H3;1H4;;1H2/q;;;;;;;+1;/p-1
• InChIKey: HQYPHAAVTZOVJZ-UHFFFAOYSA-M
• XLogP: 13.42
• TPSA: 351.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1980.91
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

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]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide?

The IUPAC name of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide (CID 158561645) is sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide.

What is the SMILES notation for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide?

The canonical SMILES for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide is C.CO.Cc1c(C(=O)O)cc2cc(C3CCOCC3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(C3=CCOCC3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(C3CCOCC3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3cc(C4CCOCC4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-].

What is the InChIKey of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide?

The InChIKey is HQYPHAAVTZOVJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H38N4O4.C24H34N2O4.C24H32N2O4.C21H28N2O4.C8H11ClN2O.CH4O.CH4.Na.H2O/c1-18-13-19(2)31-29(35)26(18)16-30-28(34)25-15-24-14-23(22-5-9-36-10-6-22)17-33(24)27(20(25)3)21(4)32-7-11-37-12-8-32;2*1-16(2)30-24(27)22-14-21-13-20(19-5-9-28-10-6-19)15-26(21)23(17(22)3)18(4)25-7-11-29-12-8-25;1-14-19(21(24)25)12-18-11-17(16-3-7-26-8-4-16)13-23(18)20(14)15(2)22-5-9-27-10-6-22;1-5-3-6(2)11-8(12)7(5)4-10-9;1-2;;;/h13-15,17,21-22H,5-12,16H2,1-4H3,(H,30,34)(H,31,35);13-16,18-19H,5-12H2,1-4H3;5,13-16,18H,6-12H2,1-4H3;11-13,15-16H,3-10H2,1-2H3,(H,24,25);3,10H,4H2,1-2H3,(H,11,12);2H,1H3;1H4;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide?

sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide has a molecular weight of 1980.91 g/mol, XLogP of 13.42, 22 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;methane;methanol;6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylic acid;propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 158561645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).