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

C42H40BBrF2N10O2 — CID 158962249

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

5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158962249) has the molecular formula C42H40BBrF2N10O2 and a molecular weight of 845.56 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 158962249
• Molecular Formula: C42H40BBrF2N10O2
• Molecular Weight: 845.56 g/mol
• Exact Mass: 844.26
• IUPAC Name: 5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cc1cccc(-n2ncc3cc(F)c(-c4cncc(N)c4)cc32)n1.Cc1cccc(-n2ncc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc32)n1.Nc1cncc(Br)c1
• InChI: InChI=1S/C19H21BFN3O2.C18H14FN5.C5H5BrN2/c1-12-7-6-8-17(23-12)24-16-10-14(15(21)9-13(16)11-22-24)20-25-18(2,3)19(4,5)26-20;1-11-3-2-4-18(23-11)24-17-7-15(12-5-14(20)10-21-8-12)16(19)6-13(17)9-22-24;6-4-1-5(7)3-8-2-4/h6-11H,1-5H3;2-10H,20H2,1H3;1-3H,7H2
• InChIKey: JMTOMRYAYOHZDY-UHFFFAOYSA-N
• XLogP: 8.11
• 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	845.56
LogP ≤ 5	8.11
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-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158962249) is 5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-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-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cc1cccc(-n2ncc3cc(F)c(-c4cncc(N)c4)cc32)n1.Cc1cccc(-n2ncc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc32)n1.Nc1cncc(Br)c1.

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

The InChIKey is JMTOMRYAYOHZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BFN3O2.C18H14FN5.C5H5BrN2/c1-12-7-6-8-17(23-12)24-16-10-14(15(21)9-13(16)11-22-24)20-25-18(2,3)19(4,5)26-20;1-11-3-2-4-18(23-11)24-17-7-15(12-5-14(20)10-21-8-12)16(19)6-13(17)9-22-24;6-4-1-5(7)3-8-2-4/h6-11H,1-5H3;2-10H,20H2,1H3;1-3H,7H2.

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

5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 845.56 g/mol, XLogP of 8.11, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromopyridin-3-amine;5-[5-fluoro-1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158962249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).