5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol

C21H23F2N3O2 — CID 163233702

IUPAC5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol
SMILESCC1(C)CN(c2ccc(-n3ncc4cc(F)c(O)c(F)c43)cc2)CC(C)(C)O1
InChIInChI=1S/C21H23F2N3O2/c1-20(2)11-25(12-21(3,4)28-20)14-5-7-15(8-6-14)26-18-13(10-24-26)9-16(22)19(27)17(18)23/h5-10,27H,11-12H2,1-4H3
InChIKeySJERLRQGXRSRKO-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.40
Rot. Bonds2

About 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol

5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol (PubChem CID 163233702) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol.

Molecular Properties

Compound Name5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol
PubChem CID163233702
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol
SMILESCC1(C)CN(c2ccc(-n3ncc4cc(F)c(O)c(F)c43)cc2)CC(C)(C)O1
InChIInChI=1S/C21H23F2N3O2/c1-20(2)11-25(12-21(3,4)28-20)14-5-7-15(8-6-14)26-18-13(10-24-26)9-16(22)19(27)17(18)23/h5-10,27H,11-12H2,1-4H3
InChIKeySJERLRQGXRSRKO-UHFFFAOYSA-N
XLogP4.40
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5,7-difluoro-1-[4-[3-(hydroxymethyl)-3-methylazetidin-1-yl]phenyl]indazol-6-ol
CID 163233664
1-[4-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]phenyl]-5,7-difluoroindazol-6-ol
CID 163233618
1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol
CID 163233595
1-[4-(4,4-dimethylpiperidin-1-yl)phenyl]-5-fluoro-6-hydroxyindazole-7-carbonitrile
CID 163233529
1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol
CID 171048601
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
4,6-difluoro-3-[5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrimidin-2-yl]benzotriazol-5-ol
CID 163233320
[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane
CID 163233630
2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine
CID 102745010
3-fluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboxylic acid
CID 102744178
4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744103
3,4-difluoro-2-(2,2,6,6-tetramethylmorpholin-4-yl)aniline
CID 102742793

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol?
The IUPAC name of 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol (CID 163233702) is 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol.
What is the SMILES notation for 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol?
The canonical SMILES for 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol is CC1(C)CN(c2ccc(-n3ncc4cc(F)c(O)c(F)c43)cc2)CC(C)(C)O1.
What is the InChIKey of 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol?
The InChIKey is SJERLRQGXRSRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-20(2)11-25(12-21(3,4)28-20)14-5-7-15(8-6-14)26-18-13(10-24-26)9-16(22)19(27)17(18)23/h5-10,27H,11-12H2,1-4H3.
What are the key properties of 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol?
5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol has a molecular weight of 387.43 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol is sourced from PubChem (CID 163233702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).