4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol

C22H24FN3O3 — CID 137471192

IUPAC4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol
SMILESOc1ccc(-c2cc(OCC3CNC3)c3cnn(C4CCCCO4)c3c2)cc1F
InChIInChI=1S/C22H24FN3O3/c23-18-7-15(4-5-20(18)27)16-8-19-17(21(9-16)29-13-14-10-24-11-14)12-25-26(19)22-3-1-2-6-28-22/h4-5,7-9,12,14,22,24,27H,1-3,6,10-11,13H2
InChIKeyFYUREWOIPJSDJL-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.85
Rot. Bonds5

About 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol

4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol (PubChem CID 137471192) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol
PubChem CID137471192
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol
SMILESOc1ccc(-c2cc(OCC3CNC3)c3cnn(C4CCCCO4)c3c2)cc1F
InChIInChI=1S/C22H24FN3O3/c23-18-7-15(4-5-20(18)27)16-8-19-17(21(9-16)29-13-14-10-24-11-14)12-25-26(19)22-3-1-2-6-28-22/h4-5,7-9,12,14,22,24,27H,1-3,6,10-11,13H2
InChIKeyFYUREWOIPJSDJL-UHFFFAOYSA-N
XLogP3.85
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol with MolForge

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Related Compounds

4-(1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-11-yl)phenol
CID 72201751
4-(1-Methoxy-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-10-ium-11-yl)phenol hydroxide
CID 72201750
2-fluoro-3-[6-(1H-indazol-6-yloxy)-2-pyridinyl]phenol
CID 162685485
5-(2,4-difluorophenoxy)-1-isobutyl-6-(piperidin-4-ylmethoxy)-1H-indazole
CID 42611140
3-[6-(4',5'-Difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-indazol-1-yl]-propionic acid
CID 52939614
3-(4-{[4-[5-Fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenol
CID 57615930
1,1,1-Trifluoro-3-[3-methoxy-5-(trifluoromethyl)anilino]-2-(1-phenylindazol-5-yl)propan-2-ol
CID 57943614
1,1,1-Trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-[3-methoxy-5-(trifluoromethyl)anilino]propan-2-ol
CID 57943867
3-(4-fluorophenyl)-3-(4-methoxyindazol-1-yl)-N-methylpropan-1-amine
CID 58088633
4-(6-Cyclopropyl-2-(tetrahydro-2H-pyran-2-yl)-2H-indazol-5-yloxy)-3-fluoroaniline
CID 66767226
4-(4',5'-difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-1-(tetrahydro-pyran-2-yl)-1H-indazole
CID 67151934
[5-Fluoro-2-(1-methyl-1h-indazol-5-yloxy)-benzyl]-(4-methoxybenzyl)-amine
CID 67410537

Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
The IUPAC name of 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol (CID 137471192) is 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol.
What is the SMILES notation for 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
The canonical SMILES for 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol is Oc1ccc(-c2cc(OCC3CNC3)c3cnn(C4CCCCO4)c3c2)cc1F.
What is the InChIKey of 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
The InChIKey is FYUREWOIPJSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-7-15(4-5-20(18)27)16-8-19-17(21(9-16)29-13-14-10-24-11-14)12-25-26(19)22-3-1-2-6-28-22/h4-5,7-9,12,14,22,24,27H,1-3,6,10-11,13H2.
What are the key properties of 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol?
4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol has a molecular weight of 397.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-ylmethoxy)-1-(oxan-2-yl)indazol-6-yl]-2-fluorophenol is sourced from PubChem (CID 137471192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).