methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate

C20H21FN2O2 — CID 67005217

IUPACmethyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cc2cnn(-c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C20H21FN2O2/c1-13-9-18-15(10-14(13)11-20(2,3)19(24)25-4)12-22-23(18)17-7-5-16(21)6-8-17/h5-10,12H,11H2,1-4H3
InChIKeyGZFPEFUOYYONJE-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.21
Rot. Bonds4

About methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate

methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate (PubChem CID 67005217) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate
PubChem CID67005217
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Namemethyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cc1cc2cnn(-c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C20H21FN2O2/c1-13-9-18-15(10-14(13)11-20(2,3)19(24)25-4)12-22-23(18)17-7-5-16(21)6-8-17/h5-10,12H,11H2,1-4H3
InChIKeyGZFPEFUOYYONJE-UHFFFAOYSA-N
XLogP4.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137648938
trans-(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137657813
3-[1-[(2,6-Dimethylphenyl)methyl]-3-methylindazol-6-yl]propanoic acid
CID 68183990
US11787780, Example 336
CID 166916492
US11787780, Example 190
CID 166917310
5-Fluoro-2-[5-[1-(4-fluorophenyl)-5-methylindazol-6-yl]-3-oxopentyl]benzoic acid
CID 71452931
Butyric acid, 4-(p-(2H-indazol-2-yl)phenyl)-
CID 54727
Butyric acid, 2-(p-(2H-indazol-2-yl)phenyl)-
CID 54728
Propionic acid, 2-(p-(2H-indazol-2-yl)phenyl)-
CID 157365
Propionic acid, 2-(p-(2H-indazol-2-yl)phenyl)-, ethyl ester
CID 3067327
Propionic acid, 2-(p-(2H-indazol-2-yl)phenyl)-2-methyl-
CID 3067331
Propionic acid, 3-(p-(2H-indazol-2-yl)phenyl)-
CID 3067332

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate (CID 67005217) is methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1cc2cnn(-c3ccc(F)cc3)c2cc1C.
What is the InChIKey of methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate?
The InChIKey is GZFPEFUOYYONJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-9-18-15(10-14(13)11-20(2,3)19(24)25-4)12-22-23(18)17-7-5-16(21)6-8-17/h5-10,12H,11H2,1-4H3.
What are the key properties of methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate?
methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate has a molecular weight of 340.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 67005217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).