sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide

C108H125BBrClN14NaO12- — CID 162020274

About sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide

sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide (PubChem CID 162020274) has the molecular formula C108H125BBrClN14NaO12- and a molecular weight of 1960.43 g/mol. Its IUPAC name is sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide
• PubChem CID: 162020274
• Molecular Formula: C108H125BBrClN14NaO12-
• Molecular Weight: 1960.43 g/mol
• Exact Mass: 1957.85
• IUPAC Name: sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide
• SMILES: CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccccc3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3ccccc3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.OB(O)c1ccccc1.[C-]#[N+]c1cc2cc(-c3ccccc3)cn2c(N(CC)C2CCOCC2)c1C.[C-]#[N+]c1cc2cc(Br)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-]
• InChI: InChI=1S/C31H36N4O3.C23H25N3O.C23H26N2O3.C17H20BrN3O.C8H10ClN2O.C6H7BO2.Na.H2O/c1-5-34(25-11-13-38-14-12-25)31-22(4)27(29(36)32-18-28-20(2)15-21(3)33-30(28)37)17-26-16-24(19-35(26)31)23-9-7-6-8-10-23;1-4-25(20-10-12-27-13-11-20)23-17(2)22(24-3)15-21-14-19(16-26(21)23)18-8-6-5-7-9-18;1-3-24(19-9-11-28-12-10-19)22-16(2)21(23(26)27)14-20-13-18(15-25(20)22)17-7-5-4-6-8-17;1-4-20(14-5-7-22-8-6-14)17-12(2)16(19-3)10-15-9-13(18)11-21(15)17;1-5-3-6(2)11-8(12)7(5)4-10-9;8-7(9)6-4-2-1-3-5-6;;/h6-10,15-17,19,25H,5,11-14,18H2,1-4H3,(H,32,36)(H,33,37);5-9,14-16,20H,4,10-13H2,1-2H3;4-8,13-15,19H,3,9-12H2,1-2H3,(H,26,27);9-11,14H,4-8H2,1-2H3;3H,4H2,1-2H3,(H,11,12);1-5,8-9H;;1H2/q;;;;-1;;+1;/p-1
• InChIKey: YUQWFHJYFBBBBS-UHFFFAOYSA-M
• XLogP: 18.02
• TPSA: 292.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.43
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide?

The IUPAC name of sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide (CID 162020274) is sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide.

What is the SMILES notation for sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide?

The canonical SMILES for sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccccc3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3ccccc3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.OB(O)c1ccccc1.[C-]#[N+]c1cc2cc(-c3ccccc3)cn2c(N(CC)C2CCOCC2)c1C.[C-]#[N+]c1cc2cc(Br)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-].

What is the InChIKey of sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide?

The InChIKey is YUQWFHJYFBBBBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H36N4O3.C23H25N3O.C23H26N2O3.C17H20BrN3O.C8H10ClN2O.C6H7BO2.Na.H2O/c1-5-34(25-11-13-38-14-12-25)31-22(4)27(29(36)32-18-28-20(2)15-21(3)33-30(28)37)17-26-16-24(19-35(26)31)23-9-7-6-8-10-23;1-4-25(20-10-12-27-13-11-20)23-17(2)22(24-3)15-21-14-19(16-26(21)23)18-8-6-5-7-9-18;1-3-24(19-9-11-28-12-10-19)22-16(2)21(23(26)27)14-20-13-18(15-25(20)22)17-7-5-4-6-8-17;1-4-20(14-5-7-22-8-6-14)17-12(2)16(19-3)10-15-9-13(18)11-21(15)17;1-5-3-6(2)11-8(12)7(5)4-10-9;8-7(9)6-4-2-1-3-5-6;;/h6-10,15-17,19,25H,5,11-14,18H2,1-4H3,(H,32,36)(H,33,37);5-9,14-16,20H,4,10-13H2,1-2H3;4-8,13-15,19H,3,9-12H2,1-2H3,(H,26,27);9-11,14H,4-8H2,1-2H3;3H,4H2,1-2H3,(H,11,12);1-5,8-9H;;1H2/q;;;;-1;;+1;/p-1.

What are the key properties of sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide?

sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide has a molecular weight of 1960.43 g/mol, XLogP of 18.02, 22 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-bromo-N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)indolizin-5-amine;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-phenylindolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-N-(oxan-4-yl)-2-phenylindolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-phenylindolizine-7-carboxylic acid;phenylboronic acid;hydroxide is sourced from PubChem (CID 162020274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).