(5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

C168H195B5Br3ClN32O17 — CID 159704462

About (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

(5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (PubChem CID 159704462) has the molecular formula C168H195B5Br3ClN32O17 and a molecular weight of 3263.84 g/mol. Its IUPAC name is (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde.

Molecular Properties

• Compound Name: (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• PubChem CID: 159704462
• Molecular Formula: C168H195B5Br3ClN32O17
• Molecular Weight: 3263.84 g/mol
• Exact Mass: 3259.31
• IUPAC Name: (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• SMILES: CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc4c(C(=O)NC)cccc4[nH]2)nn3Cc2ccc(OC)cc2)c1C)B(C)O.CCN(Cc1cncc(-c2ccc3c(c2)c(C=O)nn3Cc2ccc(OC)cc2)c1C)B(C)O.CCN(Cc1cncc(-c2ccc3c(c2)c(C=O)nn3Cc2ccc(OC)cc2)c1C)B(C)O.CCN(Cc1cncc(Br)c1C)B(C)O.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(C(=O)NC)cccc5[nH]4)c3c2)c1C.CCNCc1cncc(Br)c1C.CCl.CNC(=O)c1cccc(N)c1N.COc1ccc(Cn2nc(C=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1CO
• InChI: InChI=1S/C34H36BN7O3.2C26H29BN4O3.C25H25N7O.C22H25BN2O4.C10H16BBrN2O.C9H13BrN2.C8H11N3O.C7H8BrNO.CH3Cl/c1-6-41(35(3)44)20-24-17-37-18-28(21(24)2)23-12-15-30-27(16-23)32(40-42(30)19-22-10-13-25(45-5)14-11-22)33-38-29-9-7-8-26(31(29)39-33)34(43)36-4;2*1-5-30(27(3)33)16-21-13-28-14-24(18(21)2)20-8-11-26-23(12-20)25(17-32)29-31(26)15-19-6-9-22(34-4)10-7-19;1-4-27-11-16-12-28-13-19(14(16)2)15-8-9-20-18(10-15)23(32-31-20)24-29-21-7-5-6-17(22(21)30-24)25(33)26-3;1-21(2)22(3,4)29-23(28-21)16-8-11-20-18(12-16)19(14-26)24-25(20)13-15-6-9-17(27-5)10-7-15;1-4-14(11(3)15)7-9-5-13-6-10(12)8(9)2;1-3-11-4-8-5-12-6-9(10)7(8)2;1-11-8(12)5-3-2-4-6(9)7(5)10;1-5-6(4-10)2-9-3-7(5)8;1-2/h7-18,44H,6,19-20H2,1-5H3,(H,36,43)(H,38,39);2*6-14,17,33H,5,15-16H2,1-4H3;5-10,12-13,27H,4,11H2,1-3H3,(H,26,33)(H,29,30)(H,31,32);6-12,14H,13H2,1-5H3;5-6,15H,4,7H2,1-3H3;5-6,11H,3-4H2,1-2H3;2-4H,9-10H2,1H3,(H,11,12);2-3,10H,4H2,1H3;1H3
• InChIKey: MYAPNQHUFNNBJD-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 631.65 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 48
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3263.84
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The IUPAC name of (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (CID 159704462) is (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde.

What is the SMILES notation for (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The canonical SMILES for (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc4c(C(=O)NC)cccc4[nH]2)nn3Cc2ccc(OC)cc2)c1C)B(C)O.CCN(Cc1cncc(-c2ccc3c(c2)c(C=O)nn3Cc2ccc(OC)cc2)c1C)B(C)O.CCN(Cc1cncc(-c2ccc3c(c2)c(C=O)nn3Cc2ccc(OC)cc2)c1C)B(C)O.CCN(Cc1cncc(Br)c1C)B(C)O.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(C(=O)NC)cccc5[nH]4)c3c2)c1C.CCNCc1cncc(Br)c1C.CCl.CNC(=O)c1cccc(N)c1N.COc1ccc(Cn2nc(C=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1CO.

What is the InChIKey of (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The InChIKey is MYAPNQHUFNNBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36BN7O3.2C26H29BN4O3.C25H25N7O.C22H25BN2O4.C10H16BBrN2O.C9H13BrN2.C8H11N3O.C7H8BrNO.CH3Cl/c1-6-41(35(3)44)20-24-17-37-18-28(21(24)2)23-12-15-30-27(16-23)32(40-42(30)19-22-10-13-25(45-5)14-11-22)33-38-29-9-7-8-26(31(29)39-33)34(43)36-4;2*1-5-30(27(3)33)16-21-13-28-14-24(18(21)2)20-8-11-26-23(12-20)25(17-32)29-31(26)15-19-6-9-22(34-4)10-7-19;1-4-27-11-16-12-28-13-19(14(16)2)15-8-9-20-18(10-15)23(32-31-20)24-29-21-7-5-6-17(22(21)30-24)25(33)26-3;1-21(2)22(3,4)29-23(28-21)16-8-11-20-18(12-16)19(14-26)24-25(20)13-15-6-9-17(27-5)10-7-15;1-4-14(11(3)15)7-9-5-13-6-10(12)8(9)2;1-3-11-4-8-5-12-6-9(10)7(8)2;1-11-8(12)5-3-2-4-6(9)7(5)10;1-5-6(4-10)2-9-3-7(5)8;1-2/h7-18,44H,6,19-20H2,1-5H3,(H,36,43)(H,38,39);2*6-14,17,33H,5,15-16H2,1-4H3;5-10,12-13,27H,4,11H2,1-3H3,(H,26,33)(H,29,30)(H,31,32);6-12,14H,13H2,1-5H3;5-6,15H,4,7H2,1-3H3;5-6,11H,3-4H2,1-2H3;2-4H,9-10H2,1H3,(H,11,12);2-3,10H,4H2,1H3;1H3.

What are the key properties of (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

(5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde has a molecular weight of 3263.84 g/mol, XLogP of 27.92, 48 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-4-methyl-3-pyridinyl)methanol;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethyl-methylboronamidic acid;chloromethane;2,3-diamino-N-methylbenzamide;2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-benzimidazole-4-carboxamide;bis(N-ethyl-N-[[5-[3-formyl-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid);N-ethyl-N-[[5-[1-[(4-methoxyphenyl)methyl]-3-[4-(methylcarbamoyl)-1H-benzimidazol-2-yl]indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-methylboronamidic acid;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is sourced from PubChem (CID 159704462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).