3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate

C125H159BBrN23O19 — CID 160759523

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate (PubChem CID 160759523) has the molecular formula C125H159BBrN23O19 and a molecular weight of 2378.50 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
• PubChem CID: 160759523
• Molecular Formula: C125H159BBrN23O19
• Molecular Weight: 2378.50 g/mol
• Exact Mass: 2376.15
• IUPAC Name: 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
• SMILES: C1COCCN1.CCOC(=O)c1cc2cc(-c3ccn(C)n3)cn2c(C(C)=O)c1C.CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)cn2c(C(C)=O)c1C.Cc1c(C(=O)O)cc2cc(-c3ccn(C)n3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3ccn(C)n3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cn1ccc(Br)n1
• InChI: InChI=1S/C28H34N6O3.C23H30N4O3.C20H26BNO5.C20H24N4O3.C18H19N3O3.C8H12N2O.C4H5BrN2.C4H9NO/c1-17-12-18(2)30-28(36)24(17)15-29-27(35)23-14-22-13-21(25-6-7-32(5)31-25)16-34(22)26(19(23)3)20(4)33-8-10-37-11-9-33;1-15(2)30-23(28)20-13-19-12-18(21-6-7-25(5)24-21)14-27(19)22(16(20)3)17(4)26-8-10-29-11-9-26;1-8-25-18(24)16-10-15-9-14(11-22(15)17(12(16)2)13(3)23)21-26-19(4,5)20(6,7)27-21;1-13-17(20(25)26)11-16-10-15(18-4-5-22(3)21-18)12-24(16)19(13)14(2)23-6-8-27-9-7-23;1-5-24-18(23)15-9-14-8-13(16-6-7-20(4)19-16)10-21(14)17(11(15)2)12(3)22;1-5-3-6(2)10-8(11)7(5)4-9;1-7-3-2-4(5)6-7;1-3-6-4-2-5-1/h6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,29,35)(H,30,36);6-7,12-15,17H,8-11H2,1-5H3;9-11H,8H2,1-7H3;4-5,10-12,14H,6-9H2,1-3H3,(H,25,26);6-10H,5H2,1-4H3;3H,4,9H2,1-2H3,(H,10,11);2-3H,1H3;5H,1-4H2
• InChIKey: RXWJHNNYSVOYLA-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 459.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.50
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?

The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate (CID 160759523) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate.

What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?

The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate is C1COCCN1.CCOC(=O)c1cc2cc(-c3ccn(C)n3)cn2c(C(C)=O)c1C.CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)cn2c(C(C)=O)c1C.Cc1c(C(=O)O)cc2cc(-c3ccn(C)n3)cn2c1C(C)N1CCOCC1.Cc1c(C(=O)OC(C)C)cc2cc(-c3ccn(C)n3)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4ccn(C)n4)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.Cn1ccc(Br)n1.

What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?

The InChIKey is RXWJHNNYSVOYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3.C23H30N4O3.C20H26BNO5.C20H24N4O3.C18H19N3O3.C8H12N2O.C4H5BrN2.C4H9NO/c1-17-12-18(2)30-28(36)24(17)15-29-27(35)23-14-22-13-21(25-6-7-32(5)31-25)16-34(22)26(19(23)3)20(4)33-8-10-37-11-9-33;1-15(2)30-23(28)20-13-19-12-18(21-6-7-25(5)24-21)14-27(19)22(16(20)3)17(4)26-8-10-29-11-9-26;1-8-25-18(24)16-10-15-9-14(11-22(15)17(12(16)2)13(3)23)21-26-19(4,5)20(6,7)27-21;1-13-17(20(25)26)11-16-10-15(18-4-5-22(3)21-18)12-24(16)19(13)14(2)23-6-8-27-9-7-23;1-5-24-18(23)15-9-14-8-13(16-6-7-20(4)19-16)10-21(14)17(11(15)2)12(3)22;1-5-3-6(2)10-8(11)7(5)4-9;1-7-3-2-4(5)6-7;1-3-6-4-2-5-1/h6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,29,35)(H,30,36);6-7,12-15,17H,8-11H2,1-5H3;9-11H,8H2,1-7H3;4-5,10-12,14H,6-9H2,1-3H3,(H,25,26);6-10H,5H2,1-4H3;3H,4,9H2,1-2H3,(H,10,11);2-3H,1H3;5H,1-4H2.

What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate has a molecular weight of 2378.50 g/mol, XLogP of 16.82, 24 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;3-bromo-1-methylpyrazole;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;ethyl 5-acetyl-6-methyl-2-(1-methylpyrazol-3-yl)indolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolizine-7-carboxylate;6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid;morpholine;propan-2-yl 6-methyl-2-(1-methylpyrazol-3-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate is sourced from PubChem (CID 160759523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).