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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide

C130H163BBrClN18NaO16- — CID 160610281

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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide (PubChem CID 160610281) has the molecular formula C130H163BBrClN18NaO16- and a molecular weight of 2383.00 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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide
• PubChem CID: 160610281
• Molecular Formula: C130H163BBrClN18NaO16-
• Molecular Weight: 2383.00 g/mol
• Exact Mass: 2380.14
• 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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide
• SMILES: CC1(C)OB(c2ccc(N3CCOCC3)cc2)OC1(C)C.CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.[C-]#[N+]c1cc2cc(-c3ccc(N4CCOCC4)cc3)cn2c(N(CC)C2CCOCC2)c1C.[C-]#[N+]c1cc2cc(Br)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-]
• InChI: InChI=1S/C35H43N5O4.C27H32N4O2.C27H33N3O4.C17H20BrN3O.C16H24BNO3.C8H10ClN2O.Na.H2O/c1-5-39(29-10-14-43-15-11-29)35-25(4)31(33(41)36-21-32-23(2)18-24(3)37-34(32)42)20-30-19-27(22-40(30)35)26-6-8-28(9-7-26)38-12-16-44-17-13-38;1-4-30(24-9-13-32-14-10-24)27-20(2)26(28-3)18-25-17-22(19-31(25)27)21-5-7-23(8-6-21)29-11-15-33-16-12-29;1-3-29(23-8-12-33-13-9-23)26-19(2)25(27(31)32)17-24-16-21(18-30(24)26)20-4-6-22(7-5-20)28-10-14-34-15-11-28;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;1-15(2)16(3,4)21-17(20-15)13-5-7-14(8-6-13)18-9-11-19-12-10-18;1-5-3-6(2)11-8(12)7(5)4-10-9;;/h6-9,18-20,22,29H,5,10-17,21H2,1-4H3,(H,36,41)(H,37,42);5-8,17-19,24H,4,9-16H2,1-2H3;4-7,16-18,23H,3,8-15H2,1-2H3,(H,31,32);9-11,14H,4-8H2,1-2H3;5-8H,9-12H2,1-4H3;3H,4H2,1-2H3,(H,11,12);;1H2/q;;;;;-1;+1;/p-1
• InChIKey: RFKTZUMQYNAGSF-UHFFFAOYSA-M
• XLogP: 19.99
• TPSA: 320.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.00
LogP ≤ 5	19.99
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;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide (CID 160610281) 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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide is CC1(C)OB(c2ccc(N3CCOCC3)cc2)OC1(C)C.CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3ccc(N4CCOCC4)cc3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.[C-]#[N+]c1cc2cc(-c3ccc(N4CCOCC4)cc3)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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide?

The InChIKey is RFKTZUMQYNAGSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H43N5O4.C27H32N4O2.C27H33N3O4.C17H20BrN3O.C16H24BNO3.C8H10ClN2O.Na.H2O/c1-5-39(29-10-14-43-15-11-29)35-25(4)31(33(41)36-21-32-23(2)18-24(3)37-34(32)42)20-30-19-27(22-40(30)35)26-6-8-28(9-7-26)38-12-16-44-17-13-38;1-4-30(24-9-13-32-14-10-24)27-20(2)26(28-3)18-25-17-22(19-31(25)27)21-5-7-23(8-6-21)29-11-15-33-16-12-29;1-3-29(23-8-12-33-13-9-23)26-19(2)25(27(31)32)17-24-16-21(18-30(24)26)20-4-6-22(7-5-20)28-10-14-34-15-11-28;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;1-15(2)16(3,4)21-17(20-15)13-5-7-14(8-6-13)18-9-11-19-12-10-18;1-5-3-6(2)11-8(12)7(5)4-10-9;;/h6-9,18-20,22,29H,5,10-17,21H2,1-4H3,(H,36,41)(H,37,42);5-8,17-19,24H,4,9-16H2,1-2H3;4-7,16-18,23H,3,8-15H2,1-2H3,(H,31,32);9-11,14H,4-8H2,1-2H3;5-8H,9-12H2,1-4H3;3H,4H2,1-2H3,(H,11,12);;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide has a molecular weight of 2383.00 g/mol, XLogP of 19.99, 26 rotatable bonds, 4 hydrogen bond donors, and 27 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-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(4-morpholin-4-ylphenyl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxylic acid;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine;hydroxide is sourced from PubChem (CID 160610281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).