5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate

C₇₉H₇₉BBr₂Cl₅N₁₉O₆ — CID 160514551

About 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate

5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate (PubChem CID 160514551) has the molecular formula C₇₉H₇₉BBr₂Cl₅N₁₉O₆ and a molecular weight of 1738.51 g/mol. Its IUPAC name is 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate.

Molecular Properties

• Compound Name: 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate
• PubChem CID: 160514551
• Molecular Formula: C₇₉H₇₉BBr₂Cl₅N₁₉O₆
• Molecular Weight: 1738.51 g/mol
• Exact Mass: 1733.34
• IUPAC Name: 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate
• SMILES: Cc1[nH]nc2c(Cl)cc(Br)cc12.Cc1nn(C)c2c(Cl)cc(-c3nn4c(c3C(N)=O)CCCC4)cc12.Cc1nn(C)c2c(Cl)cc(-c3nn4c(c3C(N)=O)CNCC4)cc12.Cc1nn(C)c2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc12.Cc1nn(C)c2c(Cl)cc(Br)cc12.[C-]#[N+]c1ccc(NC(=O)Oc2ccccc2)cc1
• InChI: InChI=1S/C17H18ClN5O.C16H17ClN6O.C15H20BClN2O2.C14H10N2O2.C9H8BrClN2.C8H6BrClN2/c1-9-11-7-10(8-12(18)16(11)22(2)20-9)15-14(17(19)24)13-5-3-4-6-23(13)21-15;1-8-10-5-9(6-11(17)15(10)22(2)20-8)14-13(16(18)24)12-7-19-3-4-23(12)21-14;1-9-11-7-10(8-12(17)13(11)19(6)18-9)16-20-14(2,3)15(4,5)21-16;1-15-11-7-9-12(10-8-11)16-14(17)18-13-5-3-2-4-6-13;1-5-7-3-6(10)4-8(11)9(7)13(2)12-5;1-4-6-2-5(9)3-7(10)8(6)12-11-4/h7-8H,3-6H2,1-2H3,(H2,19,24);5-6,19H,3-4,7H2,1-2H3,(H2,18,24);7-8H,1-6H3;2-10H,(H,16,17);3-4H,1-2H3;2-3H,1H3,(H,11,12)
• InChIKey: QTLZQUBVCLDHSI-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 294.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.51
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate?

The IUPAC name of 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate (CID 160514551) is 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate.

What is the SMILES notation for 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate?

The canonical SMILES for 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate is Cc1[nH]nc2c(Cl)cc(Br)cc12.Cc1nn(C)c2c(Cl)cc(-c3nn4c(c3C(N)=O)CCCC4)cc12.Cc1nn(C)c2c(Cl)cc(-c3nn4c(c3C(N)=O)CNCC4)cc12.Cc1nn(C)c2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc12.Cc1nn(C)c2c(Cl)cc(Br)cc12.[C-]#[N+]c1ccc(NC(=O)Oc2ccccc2)cc1.

What is the InChIKey of 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate?

The InChIKey is QTLZQUBVCLDHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O.C16H17ClN6O.C15H20BClN2O2.C14H10N2O2.C9H8BrClN2.C8H6BrClN2/c1-9-11-7-10(8-12(18)16(11)22(2)20-9)15-14(17(19)24)13-5-3-4-6-23(13)21-15;1-8-10-5-9(6-11(17)15(10)22(2)20-8)14-13(16(18)24)12-7-19-3-4-23(12)21-14;1-9-11-7-10(8-12(17)13(11)19(6)18-9)16-20-14(2,3)15(4,5)21-16;1-15-11-7-9-12(10-8-11)16-14(17)18-13-5-3-2-4-6-13;1-5-7-3-6(10)4-8(11)9(7)13(2)12-5;1-4-6-2-5(9)3-7(10)8(6)12-11-4/h7-8H,3-6H2,1-2H3,(H2,19,24);5-6,19H,3-4,7H2,1-2H3,(H2,18,24);7-8H,1-6H3;2-10H,(H,16,17);3-4H,1-2H3;2-3H,1H3,(H,11,12).

What are the key properties of 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate?

5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate has a molecular weight of 1738.51 g/mol, XLogP of 17.70, 7 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate is sourced from PubChem (CID 160514551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160514551 — identifiers, structure, computed properties (public domain)

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