5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C44H46BBrN10O2 — CID 157371583

About 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 157371583) has the molecular formula C44H46BBrN10O2 and a molecular weight of 837.64 g/mol. Its IUPAC name is 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 157371583
• Molecular Formula: C44H46BBrN10O2
• Molecular Weight: 837.64 g/mol
• Exact Mass: 836.31
• IUPAC Name: 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cc1c(N)cncc1Br.Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4C)cc32)n1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1
• InChI: InChI=1S/C19H22BN3O2.C19H17N5.C6H7BrN2/c1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-12-4-3-5-19(23-12)24-18-8-14(6-7-15(18)9-22-24)16-10-21-11-17(20)13(16)2;1-4-5(7)2-9-3-6(4)8/h6-12H,1-5H3;3-11H,20H2,1-2H3;2-3H,8H2,1H3
• InChIKey: BJVCKCPGZMQACM-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 157.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.64
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 157371583) is 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cc1c(N)cncc1Br.Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4C)cc32)n1.Cc1cccc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.

What is the InChIKey of 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is BJVCKCPGZMQACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BN3O2.C19H17N5.C6H7BrN2/c1-13-7-6-8-17(22-13)23-16-11-15(10-9-14(16)12-21-23)20-24-18(2,3)19(4,5)25-20;1-12-4-3-5-19(23-12)24-18-8-14(6-7-15(18)9-22-24)16-10-21-11-17(20)13(16)2;1-4-5(7)2-9-3-6(4)8/h6-12H,1-5H3;3-11H,20H2,1-2H3;2-3H,8H2,1H3.

What are the key properties of 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 837.64 g/mol, XLogP of 8.44, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-methylpyridin-3-amine;4-methyl-5-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 157371583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).