4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole

C24H29FN4 — CID 126494292

IUPAC4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole
SMILESCc1ccc2c(c(C)nn2CC(C)(C)c2c(F)ccc3cn[nH]c23)c1C(C)(C)C
InChIInChI=1S/C24H29FN4/c1-14-8-11-18-19(20(14)23(3,4)5)15(2)28-29(18)13-24(6,7)21-17(25)10-9-16-12-26-27-22(16)21/h8-12H,13H2,1-7H3,(H,26,27)
InChIKeyZSWJKLDKJPEIEA-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.94
Rot. Bonds3

About 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole

4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole (PubChem CID 126494292) has the molecular formula C24H29FN4 and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole.

Molecular Properties

Compound Name4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole
PubChem CID126494292
Molecular FormulaC24H29FN4
Molecular Weight392.52 g/mol
Exact Mass392.24
IUPAC Name4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole
SMILESCc1ccc2c(c(C)nn2CC(C)(C)c2c(F)ccc3cn[nH]c23)c1C(C)(C)C
InChIInChI=1S/C24H29FN4/c1-14-8-11-18-19(20(14)23(3,4)5)15(2)28-29(18)13-24(6,7)21-17(25)10-9-16-12-26-27-22(16)21/h8-12H,13H2,1-7H3,(H,26,27)
InChIKeyZSWJKLDKJPEIEA-UHFFFAOYSA-N
XLogP5.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole?
The IUPAC name of 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole (CID 126494292) is 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole.
What is the SMILES notation for 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole?
The canonical SMILES for 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole is Cc1ccc2c(c(C)nn2CC(C)(C)c2c(F)ccc3cn[nH]c23)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole?
The InChIKey is ZSWJKLDKJPEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4/c1-14-8-11-18-19(20(14)23(3,4)5)15(2)28-29(18)13-24(6,7)21-17(25)10-9-16-12-26-27-22(16)21/h8-12H,13H2,1-7H3,(H,26,27).
What are the key properties of 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole?
4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole has a molecular weight of 392.52 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole is sourced from PubChem (CID 126494292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).