6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate

C63H61Br4N15O4 — CID 158946202

About 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate

6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate (PubChem CID 158946202) has the molecular formula C63H61Br4N15O4 and a molecular weight of 1411.90 g/mol. Its IUPAC name is 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate.

Molecular Properties

• Compound Name: 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
• PubChem CID: 158946202
• Molecular Formula: C63H61Br4N15O4
• Molecular Weight: 1411.90 g/mol
• Exact Mass: 1407.18
• IUPAC Name: 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
• SMILES: Cc1cccc(-n2cc3c(N)cc(Br)cc3n2)c1.Cc1cccc(-n2cc3c(NC(=O)OC(C)(C)C)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(N)cc(Br)cc32)n1.Cc1cccc(-n2ncc3c(NC(=O)OC(C)(C)C)cc(Br)cc32)n1
• InChI: InChI=1S/2C18H19BrN4O2.C14H12BrN3.C13H11BrN4/c1-11-6-5-7-16(20-11)23-10-13-14(8-12(19)9-15(13)22-23)21-17(24)25-18(2,3)4;1-11-6-5-7-16(21-11)23-15-9-12(19)8-14(13(15)10-20-23)22-17(24)25-18(2,3)4;1-9-3-2-4-11(5-9)18-8-12-13(16)6-10(15)7-14(12)17-18;1-8-3-2-4-13(17-8)18-12-6-9(14)5-11(15)10(12)7-16-18/h5-10H,1-4H3,(H,21,24);5-10H,1-4H3,(H,22,24);2-8H,16H2,1H3;2-7H,15H2,1H3
• InChIKey: JKVUWVKABYWMAP-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 238.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.90
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?

The IUPAC name of 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate (CID 158946202) is 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate.

What is the SMILES notation for 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?

The canonical SMILES for 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate is Cc1cccc(-n2cc3c(N)cc(Br)cc3n2)c1.Cc1cccc(-n2cc3c(NC(=O)OC(C)(C)C)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(N)cc(Br)cc32)n1.Cc1cccc(-n2ncc3c(NC(=O)OC(C)(C)C)cc(Br)cc32)n1.

What is the InChIKey of 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?

The InChIKey is JKVUWVKABYWMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19BrN4O2.C14H12BrN3.C13H11BrN4/c1-11-6-5-7-16(20-11)23-10-13-14(8-12(19)9-15(13)22-23)21-17(24)25-18(2,3)4;1-11-6-5-7-16(21-11)23-15-9-12(19)8-14(13(15)10-20-23)22-17(24)25-18(2,3)4;1-9-3-2-4-11(5-9)18-8-12-13(16)6-10(15)7-14(12)17-18;1-8-3-2-4-13(17-8)18-12-6-9(14)5-11(15)10(12)7-16-18/h5-10H,1-4H3,(H,21,24);5-10H,1-4H3,(H,22,24);2-8H,16H2,1H3;2-7H,15H2,1H3.

What are the key properties of 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate?

6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate has a molecular weight of 1411.90 g/mol, XLogP of 16.43, 6 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-(3-methylphenyl)indazol-4-amine;6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-amine;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate is sourced from PubChem (CID 158946202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).