tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate

C23H25F2N3O3 — CID 68532836

IUPACtert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccccc3F)c3cccc(F)c23)CC1
InChIInChI=1S/C23H25F2N3O3/c1-23(2,3)31-22(29)27-13-11-15(12-14-27)30-21-20-17(25)8-6-10-19(20)28(26-21)18-9-5-4-7-16(18)24/h4-10,15H,11-14H2,1-3H3
InChIKeyZRAFRAPHQKDOMX-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.08
Rot. Bonds3

About tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate (PubChem CID 68532836) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
PubChem CID68532836
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Nametert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccccc3F)c3cccc(F)c23)CC1
InChIInChI=1S/C23H25F2N3O3/c1-23(2,3)31-22(29)27-13-11-15(12-14-27)30-21-20-17(25)8-6-10-19(20)28(26-21)18-9-5-4-7-16(18)24/h4-10,15H,11-14H2,1-3H3
InChIKeyZRAFRAPHQKDOMX-UHFFFAOYSA-N
XLogP5.08
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate (CID 68532836) is tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccccc3F)c3cccc(F)c23)CC1.
What is the InChIKey of tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The InChIKey is ZRAFRAPHQKDOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-23(2,3)31-22(29)27-13-11-15(12-14-27)30-21-20-17(25)8-6-10-19(20)28(26-21)18-9-5-4-7-16(18)24/h4-10,15H,11-14H2,1-3H3.
What are the key properties of tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate has a molecular weight of 429.47 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-fluoro-1-(2-fluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 68532836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).