3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine

C107H140BBr3N16O15 — CID 158410381

About 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine

3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine (PubChem CID 158410381) has the molecular formula C107H140BBr3N16O15 and a molecular weight of 2140.92 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
• PubChem CID: 158410381
• Molecular Formula: C107H140BBr3N16O15
• Molecular Weight: 2140.92 g/mol
• Exact Mass: 2136.83
• IUPAC Name: 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
• SMILES: CC1(C)OB(c2ccc(N3CCNCC3)nc2)OC1(C)C.CCC(C)n1cc(C)c2c(C(=O)NCc3c(OC)[nH]c(C)cc3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21.CCC(C)n1cc(C)c2c(C(=O)NCc3c(OC)[nH]c(C)cc3=O)cc(Br)cc21.CCC(C)n1cc(C)c2c(C(=O)O)cc(Br)cc21.CCC(C)n1cc(C)c2c(C(=O)OC)cc(Br)cc21.CCO.COc1[nH]c(C)cc(=O)c1CN
• InChI: InChI=1S/C31H38N6O3.C22H26BrN3O3.C15H24BN3O2.C15H18BrNO2.C14H16BrNO2.C8H12N2O2.C2H6O/c1-6-21(4)37-18-19(2)29-24(30(39)34-17-25-27(38)13-20(3)35-31(25)40-5)14-23(15-26(29)37)22-7-8-28(33-16-22)36-11-9-32-10-12-36;1-6-14(4)26-11-12(2)20-16(8-15(23)9-18(20)26)21(28)24-10-17-19(27)7-13(3)25-22(17)29-5;1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19;1-5-10(3)17-8-9(2)14-12(15(18)19-4)6-11(16)7-13(14)17;1-4-9(3)16-7-8(2)13-11(14(17)18)5-10(15)6-12(13)16;1-5-3-7(11)6(4-9)8(10-5)12-2;1-2-3/h7-8,13-16,18,21,32H,6,9-12,17H2,1-5H3,(H,34,39)(H,35,38);7-9,11,14H,6,10H2,1-5H3,(H,24,28)(H,25,27);5-6,11,17H,7-10H2,1-4H3;6-8,10H,5H2,1-4H3;5-7,9H,4H2,1-3H3,(H,17,18);3H,4,9H2,1-2H3,(H,10,11);3H,2H2,1H3
• InChIKey: GZFSZJUXSWKCLA-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 388.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.92
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?

The IUPAC name of 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine (CID 158410381) is 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine.

What is the SMILES notation for 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?

The canonical SMILES for 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine is CC1(C)OB(c2ccc(N3CCNCC3)nc2)OC1(C)C.CCC(C)n1cc(C)c2c(C(=O)NCc3c(OC)[nH]c(C)cc3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21.CCC(C)n1cc(C)c2c(C(=O)NCc3c(OC)[nH]c(C)cc3=O)cc(Br)cc21.CCC(C)n1cc(C)c2c(C(=O)O)cc(Br)cc21.CCC(C)n1cc(C)c2c(C(=O)OC)cc(Br)cc21.CCO.COc1[nH]c(C)cc(=O)c1CN.

What is the InChIKey of 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?

The InChIKey is GZFSZJUXSWKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O3.C22H26BrN3O3.C15H24BN3O2.C15H18BrNO2.C14H16BrNO2.C8H12N2O2.C2H6O/c1-6-21(4)37-18-19(2)29-24(30(39)34-17-25-27(38)13-20(3)35-31(25)40-5)14-23(15-26(29)37)22-7-8-28(33-16-22)36-11-9-32-10-12-36;1-6-14(4)26-11-12(2)20-16(8-15(23)9-18(20)26)21(28)24-10-17-19(27)7-13(3)25-22(17)29-5;1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19;1-5-10(3)17-8-9(2)14-12(15(18)19-4)6-11(16)7-13(14)17;1-4-9(3)16-7-8(2)13-11(14(17)18)5-10(15)6-12(13)16;1-5-3-7(11)6(4-9)8(10-5)12-2;1-2-3/h7-8,13-16,18,21,32H,6,9-12,17H2,1-5H3,(H,34,39)(H,35,38);7-9,11,14H,6,10H2,1-5H3,(H,24,28)(H,25,27);5-6,11,17H,7-10H2,1-4H3;6-8,10H,5H2,1-4H3;5-7,9H,4H2,1-3H3,(H,17,18);3H,4,9H2,1-2H3,(H,10,11);3H,2H2,1H3.

What are the key properties of 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine?

3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine has a molecular weight of 2140.92 g/mol, XLogP of 18.74, 24 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-2-methoxy-6-methyl-1H-pyridin-4-one;6-bromo-1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide;6-bromo-1-butan-2-yl-3-methylindole-4-carboxylic acid;1-butan-2-yl-N-[(2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indole-4-carboxamide;ethanol;methyl 6-bromo-1-butan-2-yl-3-methylindole-4-carboxylate;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 158410381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).