(5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

C128H160BBr3N22O16 — CID 157423941

About (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

(5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (PubChem CID 157423941) has the molecular formula C128H160BBr3N22O16 and a molecular weight of 2513.35 g/mol. Its IUPAC name is (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-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;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• PubChem CID: 157423941
• Molecular Formula: C128H160BBr3N22O16
• Molecular Weight: 2513.35 g/mol
• Exact Mass: 2509.00
• IUPAC Name: (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• SMILES: CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CCC(OC)OC.CNCc1cncc(-c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)c1C.CNCc1cncc(Br)c1C.Cc1c(Br)cncc1CO.Cc1c(CN(C)C(=O)OC(C)(C)C)cncc1-c1ccc(Br)cc1.Cc1c(CN(C)C(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C#N)nn2C1CCCCO1.Cc1c(CN(C)C(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C=O)nn2C1CCCCO1
• InChI: InChI=1S/C26H31N5O3.C26H32N4O4.C19H25BN2O4.C19H23BrN2O2.C18H18N6.C8H11BrN2.C7H8BrNO.C5H12O2/c1-17-19(16-30(5)25(32)34-26(2,3)4)14-28-15-21(17)18-9-10-23-20(12-18)22(13-27)29-31(23)24-8-6-7-11-33-24;1-17-19(15-29(5)25(32)34-26(2,3)4)13-27-14-21(17)18-9-10-23-20(12-18)22(16-31)28-30(23)24-8-6-7-11-33-24;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;1-13-15(12-22(5)18(23)24-19(2,3)4)10-21-11-17(13)14-6-8-16(20)9-7-14;1-11-13(8-19-2)9-20-10-15(11)12-3-4-16-14(7-12)17(24-23-16)18-21-5-6-22-18;1-6-7(3-10-2)4-11-5-8(6)9;1-5-6(4-10)2-9-3-7(5)8;1-4-5(6-2)7-3/h9-10,12,14-15,24H,6-8,11,16H2,1-5H3;9-10,12-14,16,24H,6-8,11,15H2,1-5H3;8-9,11-12,17H,5-7,10H2,1-4H3;6-11H,12H2,1-5H3;3-7,9-10,19H,8H2,1-2H3,(H,21,22)(H,23,24);4-5,10H,3H2,1-2H3;2-3,10H,4H2,1H3;5H,4H2,1-3H3
• InChIKey: BPSWFXZDMIDWHB-UHFFFAOYSA-N
• XLogP: 26.24
• TPSA: 443.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2513.35
LogP ≤ 5	26.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-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;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (CID 157423941) is (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-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;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-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;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CCC(OC)OC.CNCc1cncc(-c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)c1C.CNCc1cncc(Br)c1C.Cc1c(Br)cncc1CO.Cc1c(CN(C)C(=O)OC(C)(C)C)cncc1-c1ccc(Br)cc1.Cc1c(CN(C)C(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C#N)nn2C1CCCCO1.Cc1c(CN(C)C(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C=O)nn2C1CCCCO1.

What is the InChIKey of (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The InChIKey is BPSWFXZDMIDWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3.C26H32N4O4.C19H25BN2O4.C19H23BrN2O2.C18H18N6.C8H11BrN2.C7H8BrNO.C5H12O2/c1-17-19(16-30(5)25(32)34-26(2,3)4)14-28-15-21(17)18-9-10-23-20(12-18)22(13-27)29-31(23)24-8-6-7-11-33-24;1-17-19(15-29(5)25(32)34-26(2,3)4)13-27-14-21(17)18-9-10-23-20(12-18)22(16-31)28-30(23)24-8-6-7-11-33-24;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;1-13-15(12-22(5)18(23)24-19(2,3)4)10-21-11-17(13)14-6-8-16(20)9-7-14;1-11-13(8-19-2)9-20-10-15(11)12-3-4-16-14(7-12)17(24-23-16)18-21-5-6-22-18;1-6-7(3-10-2)4-11-5-8(6)9;1-5-6(4-10)2-9-3-7(5)8;1-4-5(6-2)7-3/h9-10,12,14-15,24H,6-8,11,16H2,1-5H3;9-10,12-14,16,24H,6-8,11,15H2,1-5H3;8-9,11-12,17H,5-7,10H2,1-4H3;6-11H,12H2,1-5H3;3-7,9-10,19H,8H2,1-2H3,(H,21,22)(H,23,24);4-5,10H,3H2,1-2H3;2-3,10H,4H2,1H3;5H,4H2,1-3H3.

What are the key properties of (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

(5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde has a molecular weight of 2513.35 g/mol, XLogP of 26.24, 25 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (5-bromo-4-methyl-3-pyridinyl)methanol;1-(5-bromo-4-methyl-3-pyridinyl)-N-methylmethanamine;tert-butyl N-[[5-(4-bromophenyl)-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-cyano-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;tert-butyl N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-methylcarbamate;1,1-dimethoxypropane;1-[5-[3-(1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N-methylmethanamine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is sourced from PubChem (CID 157423941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).