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

C106H135BBrClN22NaO12- — CID 161140401

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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide (PubChem CID 161140401) has the molecular formula C106H135BBrClN22NaO12- and a molecular weight of 2058.55 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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide
• PubChem CID: 161140401
• Molecular Formula: C106H135BBrClN22NaO12-
• Molecular Weight: 2058.55 g/mol
• Exact Mass: 2055.95
• 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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide
• SMILES: CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3cnn(C)c3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3cnn(C)c3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.[C-]#[N+]c1cc2cc(-c3cnn(C)c3)cn2c(N(CC)C2CCOCC2)c1C.[C-]#[N+]c1cc2cc(Br)cn2c(N(CC)C2CCOCC2)c1C.[Na+].[OH-]
• InChI: InChI=1S/C29H36N6O3.C21H25N5O.C21H26N4O3.C17H20BrN3O.C10H17BN2O2.C8H10ClN2O.Na.H2O/c1-6-34(23-7-9-38-10-8-23)29-20(4)25(27(36)30-15-26-18(2)11-19(3)32-28(26)37)13-24-12-21(17-35(24)29)22-14-31-33(5)16-22;1-5-25(18-6-8-27-9-7-18)21-15(2)20(22-3)11-19-10-16(14-26(19)21)17-12-23-24(4)13-17;1-4-24(17-5-7-28-8-6-17)20-14(2)19(21(26)27)10-18-9-15(13-25(18)20)16-11-22-23(3)12-16;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;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-5-3-6(2)11-8(12)7(5)4-10-9;;/h11-14,16-17,23H,6-10,15H2,1-5H3,(H,30,36)(H,32,37);10-14,18H,5-9H2,1-2,4H3;9-13,17H,4-8H2,1-3H3,(H,26,27);9-11,14H,4-8H2,1-2H3;6-7H,1-5H3;3H,4H2,1-2H3,(H,11,12);;1H2/q;;;;;-1;+1;/p-1
• InChIKey: UNJFBXZPYFVDFR-UHFFFAOYSA-M
• XLogP: 15.58
• TPSA: 342.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.55
LogP ≤ 5	15.58
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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide (CID 161140401) 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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide is CCN(c1c(C)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2cc(-c3cnn(C)c3)cn12)C1CCOCC1.CCN(c1c(C)c(C(=O)O)cc2cc(-c3cnn(C)c3)cn12)C1CCOCC1.Cc1cc(C)c(C[N-]Cl)c(=O)[nH]1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.[C-]#[N+]c1cc2cc(-c3cnn(C)c3)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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide?

The InChIKey is UNJFBXZPYFVDFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H36N6O3.C21H25N5O.C21H26N4O3.C17H20BrN3O.C10H17BN2O2.C8H10ClN2O.Na.H2O/c1-6-34(23-7-9-38-10-8-23)29-20(4)25(27(36)30-15-26-18(2)11-19(3)32-28(26)37)13-24-12-21(17-35(24)29)22-14-31-33(5)16-22;1-5-25(18-6-8-27-9-7-18)21-15(2)20(22-3)11-19-10-16(14-26(19)21)17-12-23-24(4)13-17;1-4-24(17-5-7-28-8-6-17)20-14(2)19(21(26)27)10-18-9-15(13-25(18)20)16-11-22-23(3)12-16;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;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-5-3-6(2)11-8(12)7(5)4-10-9;;/h11-14,16-17,23H,6-10,15H2,1-5H3,(H,30,36)(H,32,37);10-14,18H,5-9H2,1-2,4H3;9-13,17H,4-8H2,1-3H3,(H,26,27);9-11,14H,4-8H2,1-2H3;6-7H,1-5H3;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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide has a molecular weight of 2058.55 g/mol, XLogP of 15.58, 22 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-(1-methylpyrazol-4-yl)indolizine-7-carboxamide;N-ethyl-7-isocyano-6-methyl-2-(1-methylpyrazol-4-yl)-N-(oxan-4-yl)indolizin-5-amine;5-[ethyl(oxan-4-yl)amino]-6-methyl-2-(1-methylpyrazol-4-yl)indolizine-7-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydroxide is sourced from PubChem (CID 161140401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).