3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile

C23H23FN4O3 — CID 137471115

IUPAC3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile
SMILESN#CC1(COc2cc(-c3ccc(O)c(F)c3)cc3c2cnn3C2CCCCO2)CNC1
InChIInChI=1S/C23H23FN4O3/c24-18-7-15(4-5-20(18)29)16-8-19-17(10-27-28(19)22-3-1-2-6-30-22)21(9-16)31-14-23(11-25)12-26-13-23/h4-5,7-10,22,26,29H,1-3,6,12-14H2
InChIKeyZATRVRAEJGDUOU-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.74
Rot. Bonds5

About 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile

3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile (PubChem CID 137471115) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile
PubChem CID137471115
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile
SMILESN#CC1(COc2cc(-c3ccc(O)c(F)c3)cc3c2cnn3C2CCCCO2)CNC1
InChIInChI=1S/C23H23FN4O3/c24-18-7-15(4-5-20(18)29)16-8-19-17(10-27-28(19)22-3-1-2-6-30-22)21(9-16)31-14-23(11-25)12-26-13-23/h4-5,7-10,22,26,29H,1-3,6,12-14H2
InChIKeyZATRVRAEJGDUOU-UHFFFAOYSA-N
XLogP3.74
TPSA92.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile with MolForge

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Related Compounds

6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
CID 162677646
tert-butyl N-[3-[6-(3-chloro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxycyclobutyl]carbamate
CID 162752504
4-[7-[2-(azetidin-3-yl)propan-2-yloxy]-3H-isoindol-5-yl]-2-chlorophenol;tert-butyl 3-[2-[6-(3-chloro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate
CID 159801102
tert-butyl N-[(1S,3S)-3-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxycyclopentyl]carbamate
CID 162752494
CID 148973784
CID 148973784
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one
CID 66875398
4-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]but-3-yn-1-ol
CID 66793278
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
CID 162044579
CID 162044579
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile?
The IUPAC name of 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile (CID 137471115) is 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile.
What is the SMILES notation for 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile?
The canonical SMILES for 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile is N#CC1(COc2cc(-c3ccc(O)c(F)c3)cc3c2cnn3C2CCCCO2)CNC1.
What is the InChIKey of 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile?
The InChIKey is ZATRVRAEJGDUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-18-7-15(4-5-20(18)29)16-8-19-17(10-27-28(19)22-3-1-2-6-30-22)21(9-16)31-14-23(11-25)12-26-13-23/h4-5,7-10,22,26,29H,1-3,6,12-14H2.
What are the key properties of 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile?
3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile has a molecular weight of 422.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-fluoro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxymethyl]azetidine-3-carbonitrile is sourced from PubChem (CID 137471115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).