lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride

C96H134ClILiN17O12 — CID 157481344

About lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride

lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride (PubChem CID 157481344) has the molecular formula C96H134ClILiN17O12 and a molecular weight of 1887.53 g/mol. Its IUPAC name is lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride
• PubChem CID: 157481344
• Molecular Formula: C96H134ClILiN17O12
• Molecular Weight: 1887.53 g/mol
• Exact Mass: 1885.93
• IUPAC Name: lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride
• SMILES: C1CCOC1.CI.Cc1c(C(=O)O)cc2cc(-c3ccc(N4CCN(C)CC4)nc3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3ccc(N4CCN(C)CC4)nc3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3ccc(N4CCNCC4)nc3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cl.[Li+].[OH-]
• InChI: InChI=1S/C29H39N5O3.C28H37N5O3.C26H33N5O3.C8H12N2O.C4H8O.CH3I.ClH.Li.H2O/c1-20(2)37-29(35)26-17-25-16-24(23-6-7-27(30-18-23)33-10-8-31(5)9-11-33)19-34(25)28(21(26)3)22(4)32-12-14-36-15-13-32;1-19(2)36-28(34)25-16-24-15-23(22-5-6-26(30-17-22)32-9-7-29-8-10-32)18-33(24)27(20(25)3)21(4)31-11-13-35-14-12-31;1-18-23(26(32)33)15-22-14-21(17-31(22)25(18)19(2)29-10-12-34-13-11-29)20-4-5-24(27-16-20)30-8-6-28(3)7-9-30;1-5-3-6(2)10-8(11)7(5)4-9;1-2-4-5-3-1;1-2;;;/h6-7,16-20,22H,8-15H2,1-5H3;5-6,15-19,21,29H,7-14H2,1-4H3;4-5,14-17,19H,6-13H2,1-3H3,(H,32,33);3H,4,9H2,1-2H3,(H,10,11);1-4H2;1H3;1H;;1H2/q;;;;;;;+1;/p-1
• InChIKey: XWYPXMOCDXIQNZ-UHFFFAOYSA-M
• XLogP: 10.40
• TPSA: 305.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1887.53
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride?

The IUPAC name of lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride (CID 157481344) is lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride.

What is the SMILES notation for lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride?

The canonical SMILES for lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride is C1CCOC1.CI.Cc1c(C(=O)O)cc2cc(-c3ccc(N4CCN(C)CC4)nc3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3ccc(N4CCN(C)CC4)nc3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3ccc(N4CCNCC4)nc3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cl.[Li+].[OH-].

What is the InChIKey of lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride?

The InChIKey is XWYPXMOCDXIQNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H39N5O3.C28H37N5O3.C26H33N5O3.C8H12N2O.C4H8O.CH3I.ClH.Li.H2O/c1-20(2)37-29(35)26-17-25-16-24(23-6-7-27(30-18-23)33-10-8-31(5)9-11-33)19-34(25)28(21(26)3)22(4)32-12-14-36-15-13-32;1-19(2)36-28(34)25-16-24-15-23(22-5-6-26(30-17-22)32-9-7-29-8-10-32)18-33(24)27(20(25)3)21(4)31-11-13-35-14-12-31;1-18-23(26(32)33)15-22-14-21(17-31(22)25(18)19(2)29-10-12-34-13-11-29)20-4-5-24(27-16-20)30-8-6-28(3)7-9-30;1-5-3-6(2)10-8(11)7(5)4-9;1-2-4-5-3-1;1-2;;;/h6-7,16-20,22H,8-15H2,1-5H3;5-6,15-19,21,29H,7-14H2,1-4H3;4-5,14-17,19H,6-13H2,1-3H3,(H,32,33);3H,4,9H2,1-2H3,(H,10,11);1-4H2;1H3;1H;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride?

lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride has a molecular weight of 1887.53 g/mol, XLogP of 10.40, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;iodomethane;6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;oxolane;propan-2-yl 6-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-(6-piperazin-1-yl-3-pyridinyl)indolizine-7-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 157481344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).