6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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

C66H66Br4N14O4 — CID 161280868

About 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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 161280868) has the molecular formula C66H66Br4N14O4 and a molecular weight of 1438.96 g/mol. Its IUPAC name is 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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: 161280868
• Molecular Formula: C66H66Br4N14O4
• Molecular Weight: 1438.96 g/mol
• Exact Mass: 1434.21
• IUPAC Name: 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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: CCc1cc(Br)cc2c1cnn2-c1cccc(C)n1.CCc1cc(Br)cc2nn(-c3cccc(C)n3)cc12.Cc1cccc(-n2cc3c(NC(=O)OC(C)(C)C)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(NC(=O)OC(C)(C)C)cc(Br)cc32)n1
• InChI: InChI=1S/2C18H19BrN4O2.2C15H14BrN3/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;1-3-11-7-12(16)8-14-13(11)9-19(18-14)15-6-4-5-10(2)17-15;1-3-11-7-12(16)8-14-13(11)9-17-19(14)15-6-4-5-10(2)18-15/h5-10H,1-4H3,(H,21,24);5-10H,1-4H3,(H,22,24);2*4-9H,3H2,1-2H3
• InChIKey: VFBLKRGOWSQEKK-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 199.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.96
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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 161280868) is 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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 CCc1cc(Br)cc2c1cnn2-c1cccc(C)n1.CCc1cc(Br)cc2nn(-c3cccc(C)n3)cc12.Cc1cccc(-n2cc3c(NC(=O)OC(C)(C)C)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(NC(=O)OC(C)(C)C)cc(Br)cc32)n1.

What is the InChIKey of 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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 VFBLKRGOWSQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19BrN4O2.2C15H14BrN3/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;1-3-11-7-12(16)8-14-13(11)9-19(18-14)15-6-4-5-10(2)17-15;1-3-11-7-12(16)8-14-13(11)9-17-19(14)15-6-4-5-10(2)18-15/h5-10H,1-4H3,(H,21,24);5-10H,1-4H3,(H,22,24);2*4-9H,3H2,1-2H3.

What are the key properties of 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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 1438.96 g/mol, XLogP of 17.78, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;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 161280868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).