3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid

C19H19FN2O2 — CID 67005460

IUPAC3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1CC(C)(C)C(=O)O
InChIInChI=1S/C19H19FN2O2/c1-12-8-17-14(9-13(12)10-19(2,3)18(23)24)11-21-22(17)16-6-4-15(20)5-7-16/h4-9,11H,10H2,1-3H3,(H,23,24)
InChIKeyNUHIKXUNZNIOJF-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.13
Rot. Bonds4

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

3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid (PubChem CID 67005460) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid
PubChem CID67005460
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1CC(C)(C)C(=O)O
InChIInChI=1S/C19H19FN2O2/c1-12-8-17-14(9-13(12)10-19(2,3)18(23)24)11-21-22(17)16-6-4-15(20)5-7-16/h4-9,11H,10H2,1-3H3,(H,23,24)
InChIKeyNUHIKXUNZNIOJF-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CP-401387
CID 9799979
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-1-methylindazol-5-yl]acetic acid
CID 118715118
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylindazol-5-yl]acetic acid
CID 118715119
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-[3-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137656733
trans-(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137657813
2-[1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-yl]acetic acid
CID 60152008
3-[1-[(2,6-Dimethylphenyl)methyl]-3-methylindazol-6-yl]propanoic acid
CID 68183990
2-[1-[(2,6-Dimethylphenyl)methyl]-3-ethylindazol-6-yl]acetic acid
CID 68184290
2-[1-[(2,6-Dimethylphenyl)methyl]-3-propan-2-ylindazol-6-yl]acetic acid
CID 68184292
2-[3-methyl-1-(2,4,6-trimethylbenzyl)-1H-indazole-6-yl]acetic acid
CID 68184447
US11787780, Example 336
CID 166916492

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid (CID 67005460) is 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1CC(C)(C)C(=O)O.
What is the InChIKey of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid?
The InChIKey is NUHIKXUNZNIOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-8-17-14(9-13(12)10-19(2,3)18(23)24)11-21-22(17)16-6-4-15(20)5-7-16/h4-9,11H,10H2,1-3H3,(H,23,24).
What are the key properties of 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid?
3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid has a molecular weight of 326.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 67005460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).