5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

C37H37BBrCl2N13O2 — CID 158672540

About 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole

5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (PubChem CID 158672540) has the molecular formula C37H37BBrCl2N13O2 and a molecular weight of 857.41 g/mol. Its IUPAC name is 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

Molecular Properties

• Compound Name: 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• PubChem CID: 158672540
• Molecular Formula: C37H37BBrCl2N13O2
• Molecular Weight: 857.41 g/mol
• Exact Mass: 855.18
• IUPAC Name: 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
• SMILES: CC1(C)OB(c2cc(Cl)c3c(c2)C=NC3)OC1(C)C.Cc1ccn(-c2nc(N)cnc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2Br)n1
• InChI: InChI=1S/C15H12ClN7.C14H17BClNO2.C8H8BrN5/c1-8-2-3-23(22-8)15-14(18-7-12(17)20-15)9-4-10-6-19-21-13(10)11(16)5-9;1-13(2)14(3,4)19-15(18-13)10-5-9-7-17-8-11(9)12(16)6-10;1-5-2-3-14(13-5)8-7(9)11-4-6(10)12-8/h2-7H,1H3,(H2,17,20)(H,19,21);5-7H,8H2,1-4H3;2-4H,1H3,(H2,10,12)
• InChIKey: IECXUNMEOIKSTQ-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 198.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.41
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The IUPAC name of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole (CID 158672540) is 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole.

What is the SMILES notation for 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The canonical SMILES for 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is CC1(C)OB(c2cc(Cl)c3c(c2)C=NC3)OC1(C)C.Cc1ccn(-c2nc(N)cnc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2Br)n1.

What is the InChIKey of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

The InChIKey is IECXUNMEOIKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN7.C14H17BClNO2.C8H8BrN5/c1-8-2-3-23(22-8)15-14(18-7-12(17)20-15)9-4-10-6-19-21-13(10)11(16)5-9;1-13(2)14(3,4)19-15(18-13)10-5-9-7-17-8-11(9)12(16)6-10;1-5-2-3-14(13-5)8-7(9)11-4-6(10)12-8/h2-7H,1H3,(H2,17,20)(H,19,21);5-7H,8H2,1-4H3;2-4H,1H3,(H2,10,12).

What are the key properties of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole?

5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole has a molecular weight of 857.41 g/mol, XLogP of 6.64, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole is sourced from PubChem (CID 158672540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).