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

C42H40BBrCl2N10O2 — CID 159886006

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

5-bromopyridin-3-amine;5-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 159886006) has the molecular formula C42H40BBrCl2N10O2 and a molecular weight of 878.47 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;5-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-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-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 159886006
• Molecular Formula: C42H40BBrCl2N10O2
• Molecular Weight: 878.47 g/mol
• Exact Mass: 876.20
• IUPAC Name: 5-bromopyridin-3-amine;5-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cc1ccc(Cl)c(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Cc1ccc(Cl)c(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.Nc1cncc(Br)c1
• InChI: InChI=1S/C19H21BClN3O2.C18H14ClN5.C5H5BrN2/c1-12-6-9-15(21)17(23-12)24-16-10-14(8-7-13(16)11-22-24)20-25-18(2,3)19(4,5)26-20;1-11-2-5-16(19)18(23-11)24-17-7-12(3-4-13(17)9-22-24)14-6-15(20)10-21-8-14;6-4-1-5(7)3-8-2-4/h6-11H,1-5H3;2-10H,20H2,1H3;1-3H,7H2
• InChIKey: NUDKCUIHHVINGY-UHFFFAOYSA-N
• XLogP: 9.13
• 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	878.47
LogP ≤ 5	9.13
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-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-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-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 159886006) is 5-bromopyridin-3-amine;5-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-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-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-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-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cc1ccc(Cl)c(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Cc1ccc(Cl)c(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.Nc1cncc(Br)c1.

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

The InChIKey is NUDKCUIHHVINGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BClN3O2.C18H14ClN5.C5H5BrN2/c1-12-6-9-15(21)17(23-12)24-16-10-14(8-7-13(16)11-22-24)20-25-18(2,3)19(4,5)26-20;1-11-2-5-16(19)18(23-11)24-17-7-12(3-4-13(17)9-22-24)14-6-15(20)10-21-8-14;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-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

5-bromopyridin-3-amine;5-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 878.47 g/mol, XLogP of 9.13, 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-[1-(3-chloro-6-methyl-2-pyridinyl)indazol-6-yl]pyridin-3-amine;1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 159886006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).