sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide

C108H142BBrFN10NaO17 — CID 159846699

IUPACsodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide
SMILESC.C.Cc1c(C(=O)O)cc2cc(-c3cccc(CN(C)C)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(C=O)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(CN(C)C)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCOCC1.O=Cc1cccc(B(O)O)c1.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C28H37N3O3.C26H30N2O4.C25H31N3O3.C19H25BrN2O3.C7H7BO3.CH3F.2CH4.Na.H2O/c1-19(2)34-28(32)26-16-25-15-24(23-9-7-8-22(14-23)17-29(5)6)18-31(25)27(20(26)3)21(4)30-10-12-33-13-11-30;1-17(2)32-26(30)24-14-23-13-22(21-7-5-6-20(12-21)16-29)15-28(23)25(18(24)3)19(4)27-8-10-31-11-9-27;1-17-23(25(29)30)14-22-13-21(20-7-5-6-19(12-20)15-26(3)4)16-28(22)24(17)18(2)27-8-10-31-11-9-27;1-12(2)25-19(23)17-10-16-9-15(20)11-22(16)18(13(17)3)14(4)21-5-7-24-8-6-21;9-5-6-2-1-3-7(4-6)8(10)11;1-2;;;;/h7-9,14-16,18-19,21H,10-13,17H2,1-6H3;5-7,12-17,19H,8-11H2,1-4H3;5-7,12-14,16,18H,8-11,15H2,1-4H3,(H,29,30);9-12,14H,5-8H2,1-4H3;1-5,10-11H;1H3;2*1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;1D;;;;
InChIKeyNPKBGHCNTLQHKJ-GOOKBYQXSA-M
MW1986.09 g/mol
LogP15.52
Rot. Bonds25

About sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide

sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide (PubChem CID 159846699) has the molecular formula C108H142BBrFN10NaO17 and a molecular weight of 1986.09 g/mol. Its IUPAC name is sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide.

Molecular Properties

Compound Namesodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide
PubChem CID159846699
Molecular FormulaC108H142BBrFN10NaO17
Molecular Weight1986.09 g/mol
Exact Mass1983.98
IUPAC Namesodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide
SMILESC.C.Cc1c(C(=O)O)cc2cc(-c3cccc(CN(C)C)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(C=O)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(CN(C)C)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCOCC1.O=Cc1cccc(B(O)O)c1.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C28H37N3O3.C26H30N2O4.C25H31N3O3.C19H25BrN2O3.C7H7BO3.CH3F.2CH4.Na.H2O/c1-19(2)34-28(32)26-16-25-15-24(23-9-7-8-22(14-23)17-29(5)6)18-31(25)27(20(26)3)21(4)30-10-12-33-13-11-30;1-17(2)32-26(30)24-14-23-13-22(21-7-5-6-20(12-21)16-29)15-28(23)25(18(24)3)19(4)27-8-10-31-11-9-27;1-17-23(25(29)30)14-22-13-21(20-7-5-6-19(12-20)15-26(3)4)16-28(22)24(17)18(2)27-8-10-31-11-9-27;1-12(2)25-19(23)17-10-16-9-15(20)11-22(16)18(13(17)3)14(4)21-5-7-24-8-6-21;9-5-6-2-1-3-7(4-6)8(10)11;1-2;;;;/h7-9,14-16,18-19,21H,10-13,17H2,1-6H3;5-7,12-17,19H,8-11H2,1-4H3;5-7,12-14,16,18H,8-11,15H2,1-4H3,(H,29,30);9-12,14H,5-8H2,1-4H3;1-5,10-11H;1H3;2*1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;1D;;;;
InChIKeyNPKBGHCNTLQHKJ-GOOKBYQXSA-M
XLogP15.52
TPSA294.80 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001986.09
LogP ≤ 515.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide?
The IUPAC name of sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide (CID 159846699) is sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide.
What is the SMILES notation for sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide?
The canonical SMILES for sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide is C.C.Cc1c(C(=O)O)cc2cc(-c3cccc(CN(C)C)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(C=O)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(CN(C)C)c3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCOCC1.O=Cc1cccc(B(O)O)c1.[2H]CF.[Na+].[OH-].
What is the InChIKey of sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide?
The InChIKey is NPKBGHCNTLQHKJ-GOOKBYQXSA-M. The full InChI is InChI=1S/C28H37N3O3.C26H30N2O4.C25H31N3O3.C19H25BrN2O3.C7H7BO3.CH3F.2CH4.Na.H2O/c1-19(2)34-28(32)26-16-25-15-24(23-9-7-8-22(14-23)17-29(5)6)18-31(25)27(20(26)3)21(4)30-10-12-33-13-11-30;1-17(2)32-26(30)24-14-23-13-22(21-7-5-6-20(12-21)16-29)15-28(23)25(18(24)3)19(4)27-8-10-31-11-9-27;1-17-23(25(29)30)14-22-13-21(20-7-5-6-19(12-20)15-26(3)4)16-28(22)24(17)18(2)27-8-10-31-11-9-27;1-12(2)25-19(23)17-10-16-9-15(20)11-22(16)18(13(17)3)14(4)21-5-7-24-8-6-21;9-5-6-2-1-3-7(4-6)8(10)11;1-2;;;;/h7-9,14-16,18-19,21H,10-13,17H2,1-6H3;5-7,12-17,19H,8-11H2,1-4H3;5-7,12-14,16,18H,8-11,15H2,1-4H3,(H,29,30);9-12,14H,5-8H2,1-4H3;1-5,10-11H;1H3;2*1H4;;1H2/q;;;;;;;;+1;/p-1/i;;;;;1D;;;;.
What are the key properties of sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide?
sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide has a molecular weight of 1986.09 g/mol, XLogP of 15.52, 25 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;deuterio(fluoro)methane;2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;(3-formylphenyl)boronic acid;methane;propan-2-yl 2-bromo-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-[3-[(dimethylamino)methyl]phenyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;propan-2-yl 2-(3-formylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate;hydroxide is sourced from PubChem (CID 159846699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).