1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid

C19H18FN3O3 — CID 163234064

IUPAC1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1
InChIInChI=1S/C19H18FN3O3/c20-16-3-1-15(10-18(16)24)23-17-4-2-14(9-13(17)11-21-23)22-7-5-12(6-8-22)19(25)26/h1-4,9-12,24H,5-8H2,(H,25,26)
InChIKeySWPAPNCKJJLCFK-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.17
Rot. Bonds3

About 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid

1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid (PubChem CID 163234064) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid
PubChem CID163234064
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1
InChIInChI=1S/C19H18FN3O3/c20-16-3-1-15(10-18(16)24)23-17-4-2-14(9-13(17)11-21-23)22-7-5-12(6-8-22)19(25)26/h1-4,9-12,24H,5-8H2,(H,25,26)
InChIKeySWPAPNCKJJLCFK-UHFFFAOYSA-N
XLogP3.17
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(6-cyclobutyloxyindazol-1-yl)-2,6-difluoro-N-methylanilino]butanoic acid
CID 121447549
2-(4-Hydroxyphenyl)indazol-6-ol
CID 135440293
2-[1-[4-(6-Cyclobutyloxyindazol-1-yl)-2,6-difluorophenyl]piperidin-4-yl]acetic acid
CID 121447099
2-[1-[4-(6-Cyclobutyloxyindazol-1-yl)-2,6-difluorophenyl]pyrrolidin-3-yl]acetic acid
CID 121447329
1-(3,4-Difluoro-5-hydroxyphenyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazole-6-carbonitrile
CID 163233844
2,3-Difluoro-5-(5-(4-methoxypiperidin-1-yl)-1H-indazol-1-yl)phenol
CID 163233879
2-Fluoro-5-(5-(8-(methylsulfonyl)-5,8-diazaspiro[3.5]nonan-5-yl)-1H-indazol-1-yl)-3-(trifluoromethyl)phenol
CID 163233881
3-(5-(4-(Methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233889
1-(1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)-N,N-dimethylazetidine-3-sulfonamide
CID 163233940
2,3-Difluoro-5-(5-(3-methoxyazetidin-1-yl)-1H-indazol-1-yl)phenol
CID 163234014
2-Fluoro-5-(6-fluoro-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-3-(trifluoromethyl)phenol
CID 163234015
2,3-Difluoro-5-(5-(4-(methylsulfonyl)piperidin-1-yl)-1H-indazol-1-yl)phenol
CID 163234026

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid (CID 163234064) is 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1.
What is the InChIKey of 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid?
The InChIKey is SWPAPNCKJJLCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-3-1-15(10-18(16)24)23-17-4-2-14(9-13(17)11-21-23)22-7-5-12(6-8-22)19(25)26/h1-4,9-12,24H,5-8H2,(H,25,26).
What are the key properties of 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid?
1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid has a molecular weight of 355.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 163234064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).