tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate

C23H25F2N3O3 — CID 68533575

IUPACtert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nn(-c3cc(F)ccc3F)c3ccccc23)CC1
InChIInChI=1S/C23H25F2N3O3/c1-23(2,3)31-22(29)27-12-10-16(11-13-27)30-21-17-6-4-5-7-19(17)28(26-21)20-14-15(24)8-9-18(20)25/h4-9,14,16H,10-13H2,1-3H3
InChIKeyISWHLUHBKOEDBW-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.08
Rot. Bonds3

About tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate (PubChem CID 68533575) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
PubChem CID68533575
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Nametert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nn(-c3cc(F)ccc3F)c3ccccc23)CC1
InChIInChI=1S/C23H25F2N3O3/c1-23(2,3)31-22(29)27-12-10-16(11-13-27)30-21-17-6-4-5-7-19(17)28(26-21)20-14-15(24)8-9-18(20)25/h4-9,14,16H,10-13H2,1-3H3
InChIKeyISWHLUHBKOEDBW-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

Analyze tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, sodium salt (1:1)
CID 23662369
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 16117133
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
US10183913, Example 351
CID 68029533
3-Fluoro-2-(3-piperidin-4-yloxyindazol-1-yl)phenol
CID 54757560
2-Butyl-3-ethoxyindazole
CID 71729143
3-Ethoxy-2-propan-2-ylindazole
CID 118717004

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate (CID 68533575) is tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nn(-c3cc(F)ccc3F)c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
The InChIKey is ISWHLUHBKOEDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-23(2,3)31-22(29)27-12-10-16(11-13-27)30-21-17-6-4-5-7-19(17)28(26-21)20-14-15(24)8-9-18(20)25/h4-9,14,16H,10-13H2,1-3H3.
What are the key properties of tert-butyl 4-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[1-(2,5-difluorophenyl)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-[1-(2,5-difluorophenyl)indazol-3-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 68533575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).