sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide

C107H139BBrClN22NaO12- — CID 158661647

About sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide

sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide (PubChem CID 158661647) has the molecular formula C107H139BBrClN22NaO12- and a molecular weight of 2074.59 g/mol. Its IUPAC name is sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide
• PubChem CID: 158661647
• Molecular Formula: C107H139BBrClN22NaO12-
• Molecular Weight: 2074.59 g/mol
• Exact Mass: 2071.98
• IUPAC Name: sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide
• SMILES: C.CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3cn(C)cn3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3cn(C)cn3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.Cn1cnc(Br)c1.[C-]#[N+]c1cc2cc(-c3cn(C)cn3)cn2c(N(CC)C2CCOCC2)c1C.[C-]#[N+]c1cc2cc(B3OC(C)(C)C(C)(C)O3)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-]
• InChI: InChI=1S/C29H36N6O3.C23H32BN3O3.C21H25N5O.C21H26N4O3.C8H10ClN2O.C4H5BrN2.CH4.Na.H2O/c1-6-34(22-7-9-38-10-8-22)29-20(4)24(27(36)30-14-25-18(2)11-19(3)32-28(25)37)13-23-12-21(15-35(23)29)26-16-33(5)17-31-26;1-8-26(18-9-11-28-12-10-18)21-16(2)20(25-7)14-19-13-17(15-27(19)21)24-29-22(3,4)23(5,6)30-24;1-5-25(17-6-8-27-9-7-17)21-15(2)19(22-3)11-18-10-16(12-26(18)21)20-13-24(4)14-23-20;1-4-24(16-5-7-28-8-6-16)20-14(2)18(21(26)27)10-17-9-15(11-25(17)20)19-12-23(3)13-22-19;1-5-3-6(2)11-8(12)7(5)4-10-9;1-7-2-4(5)6-3-7;;;/h11-13,15-17,22H,6-10,14H2,1-5H3,(H,30,36)(H,32,37);13-15,18H,8-12H2,1-6H3;10-14,17H,5-9H2,1-2,4H3;9-13,16H,4-8H2,1-3H3,(H,26,27);3H,4H2,1-2H3,(H,11,12);2-3H,1H3;1H4;;1H2/q;;;;-1;;;+1;/p-1
• InChIKey: ICVGWMQZMDCHNO-UHFFFAOYSA-M
• XLogP: 16.21
• TPSA: 342.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.59
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide?

The IUPAC name of sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide (CID 158661647) is sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide.

What is the SMILES notation for sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide?

The canonical SMILES for sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide is C.CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3cn(C)cn3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3cn(C)cn3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.Cn1cnc(Br)c1.[C-]#[N+]c1cc2cc(-c3cn(C)cn3)cn2c(N(CC)C2CCOCC2)c1C.[C-]#[N+]c1cc2cc(B3OC(C)(C)C(C)(C)O3)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-].

What is the InChIKey of sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide?

The InChIKey is ICVGWMQZMDCHNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H36N6O3.C23H32BN3O3.C21H25N5O.C21H26N4O3.C8H10ClN2O.C4H5BrN2.CH4.Na.H2O/c1-6-34(22-7-9-38-10-8-22)29-20(4)24(27(36)30-14-25-18(2)11-19(3)32-28(25)37)13-23-12-21(15-35(23)29)26-16-33(5)17-31-26;1-8-26(18-9-11-28-12-10-18)21-16(2)20(25-7)14-19-13-17(15-27(19)21)24-29-22(3,4)23(5,6)30-24;1-5-25(17-6-8-27-9-7-17)21-15(2)19(22-3)11-18-10-16(12-26(18)21)20-13-24(4)14-23-20;1-4-24(16-5-7-28-8-6-16)20-14(2)18(21(26)27)10-17-9-15(11-25(17)20)19-12-23(3)13-22-19;1-5-3-6(2)11-8(12)7(5)4-10-9;1-7-2-4(5)6-3-7;;;/h11-13,15-17,22H,6-10,14H2,1-5H3,(H,30,36)(H,32,37);13-15,18H,8-12H2,1-6H3;10-14,17H,5-9H2,1-2,4H3;9-13,16H,4-8H2,1-3H3,(H,26,27);3H,4H2,1-2H3,(H,11,12);2-3H,1H3;1H4;;1H2/q;;;;-1;;;+1;/p-1.

What are the key properties of sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide?

sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide has a molecular weight of 2074.59 g/mol, XLogP of 16.21, 22 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-1-methylimidazole;chloro-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]azanide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylimidazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylimidazol-4-yl)indolizine-7-carboxylic acid;methane;hydroxide is sourced from PubChem (CID 158661647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).