6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid

C19H17FN2O3 — CID 162677646

IUPAC6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C19H17FN2O3/c20-14-6-4-12(5-7-14)13-9-15(19(23)24)16-11-21-22(17(16)10-13)18-3-1-2-8-25-18/h4-7,9-11,18H,1-3,8H2,(H,23,24)
InChIKeyLNKYFZPZDIRGPN-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.24
Rot. Bonds3

About 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid

6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid (PubChem CID 162677646) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
PubChem CID162677646
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C19H17FN2O3/c20-14-6-4-12(5-7-14)13-9-15(19(23)24)16-11-21-22(17(16)10-13)18-3-1-2-8-25-18/h4-7,9-11,18H,1-3,8H2,(H,23,24)
InChIKeyLNKYFZPZDIRGPN-UHFFFAOYSA-N
XLogP4.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
2-fluoro-5-[5-hydroxy-1-(oxan-2-yl)indazol-3-yl]benzoic acid
CID 166835900
3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid
CID 175009264
8-chloro-5-(4-fluorophenyl)-1-(oxan-2-yl)-6-propan-2-ylpyrazolo[4,3-g]isoquinoline
CID 156879937
4-[(E)-2-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethenyl]benzoic acid
CID 22480234
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
(3R)-3-(4-fluorophenyl)-7-(oxan-2-yl)-3,4-dihydro-2H-pyrazolo[5,4-h][1,4]benzoxazine
CID 142405775
4-chloro-6-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 171567702
4-fluoro-1-(oxan-2-yl)-6-prop-2-enylindazole
CID 171067202
1-[(2S)-oxan-2-yl]indazole
CID 124562379
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid?
The IUPAC name of 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid (CID 162677646) is 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid?
The canonical SMILES for 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)cc2c1cnn2C1CCCCO1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid?
The InChIKey is LNKYFZPZDIRGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-14-6-4-12(5-7-14)13-9-15(19(23)24)16-11-21-22(17(16)10-13)18-3-1-2-8-25-18/h4-7,9-11,18H,1-3,8H2,(H,23,24).
What are the key properties of 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid?
6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid has a molecular weight of 340.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid is sourced from PubChem (CID 162677646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).