5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole

C61H78ClFN8 — CID 158292425

About 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole

5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole (PubChem CID 158292425) has the molecular formula C61H78ClFN8 and a molecular weight of 977.80 g/mol. Its IUPAC name is 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole.

Molecular Properties

• Compound Name: 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole
• PubChem CID: 158292425
• Molecular Formula: C61H78ClFN8
• Molecular Weight: 977.80 g/mol
• Exact Mass: 976.60
• IUPAC Name: 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole
• SMILES: C=C1Cc2cc(C(C)(C)C)cc(C)c2N1.C=C1Cc2cc(C(C)(C)C)cc(F)c2N1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.Cc1cc(C(C)(C)C)cc2cn[nH]c12
• InChI: InChI=1S/C14H19N.C13H16FN.C12H16N2.C11H13ClN2.C11H14N2/c1-9-6-12(14(3,4)5)8-11-7-10(2)15-13(9)11;1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h6,8,15H,2,7H2,1,3-5H3;6-7,15H,1,5H2,2-4H3;5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13)
• InChIKey: GLNDSULZXUEKNN-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 110.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.80
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole?

The IUPAC name of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole (CID 158292425) is 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole.

What is the SMILES notation for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole?

The canonical SMILES for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole is C=C1Cc2cc(C(C)(C)C)cc(C)c2N1.C=C1Cc2cc(C(C)(C)C)cc(F)c2N1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.Cc1cc(C(C)(C)C)cc2cn[nH]c12.

What is the InChIKey of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole?

The InChIKey is GLNDSULZXUEKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C13H16FN.C12H16N2.C11H13ClN2.C11H14N2/c1-9-6-12(14(3,4)5)8-11-7-10(2)15-13(9)11;1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10/h6,8,15H,2,7H2,1,3-5H3;6-7,15H,1,5H2,2-4H3;5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-7H,1-3H3,(H,12,13).

What are the key properties of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole?

5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole has a molecular weight of 977.80 g/mol, XLogP of 16.92, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-fluoro-2-methylidene-1,3-dihydroindole;5-tert-butyl-1H-indazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole is sourced from PubChem (CID 158292425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).