4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole

C24H29FN4 — CID 170255098

IUPAC4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole
SMILESCc1cc2[nH]ncc2c(C(C)Cc2c(C)c(C)c(C(C)(C)C)c3cn[nH]c23)c1F
InChIInChI=1S/C24H29FN4/c1-12(20-17-10-26-28-19(17)9-13(2)22(20)25)8-16-14(3)15(4)21(24(5,6)7)18-11-27-29-23(16)18/h9-12H,8H2,1-7H3,(H,26,28)(H,27,29)
InChIKeyNGPDAWMQBVBQJF-UHFFFAOYSA-N
MW392.52 g/mol
LogP6.15
Rot. Bonds3

About 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole

4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole (PubChem CID 170255098) has the molecular formula C24H29FN4 and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole.

Molecular Properties

Compound Name4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole
PubChem CID170255098
Molecular FormulaC24H29FN4
Molecular Weight392.52 g/mol
Exact Mass392.24
IUPAC Name4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole
SMILESCc1cc2[nH]ncc2c(C(C)Cc2c(C)c(C)c(C(C)(C)C)c3cn[nH]c23)c1F
InChIInChI=1S/C24H29FN4/c1-12(20-17-10-26-28-19(17)9-13(2)22(20)25)8-16-14(3)15(4)21(24(5,6)7)18-11-27-29-23(16)18/h9-12H,8H2,1-7H3,(H,26,28)(H,27,29)
InChIKeyNGPDAWMQBVBQJF-UHFFFAOYSA-N
XLogP6.15
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-benzylpyrrolidin-3-yl)-1H-indazole
CID 44231144
4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375
5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645447
6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile
CID 90645472
6-methyl-4-phenyl-1H-indazole
CID 127046306
5-(2-ethylphenyl)-1H-indazole
CID 90645444
5-(2-propan-2-ylphenyl)-1H-indazole
CID 90645445
5-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645452
4-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645454
6-fluoro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645455

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole?
The IUPAC name of 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole (CID 170255098) is 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole.
What is the SMILES notation for 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole?
The canonical SMILES for 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole is Cc1cc2[nH]ncc2c(C(C)Cc2c(C)c(C)c(C(C)(C)C)c3cn[nH]c23)c1F.
What is the InChIKey of 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole?
The InChIKey is NGPDAWMQBVBQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4/c1-12(20-17-10-26-28-19(17)9-13(2)22(20)25)8-16-14(3)15(4)21(24(5,6)7)18-11-27-29-23(16)18/h9-12H,8H2,1-7H3,(H,26,28)(H,27,29).
What are the key properties of 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole?
4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole has a molecular weight of 392.52 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole is sourced from PubChem (CID 170255098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).