tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate

C22H26FN3O2 — CID 68921369

IUPACtert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate
SMILESCC(CCc1cccc2c1cnn2-c1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H26FN3O2/c1-15(25-21(27)28-22(2,3)4)8-9-16-6-5-7-20-19(16)14-24-26(20)18-12-10-17(23)11-13-18/h5-7,10-15H,8-9H2,1-4H3,(H,25,27)
InChIKeyOYHFIYDDWMQLBY-UHFFFAOYSA-N
MW383.47 g/mol
LogP5.01
Rot. Bonds5

About tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate

tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate (PubChem CID 68921369) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate
PubChem CID68921369
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Nametert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate
SMILESCC(CCc1cccc2c1cnn2-c1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H26FN3O2/c1-15(25-21(27)28-22(2,3)4)8-9-16-6-5-7-20-19(16)14-24-26(20)18-12-10-17(23)11-13-18/h5-7,10-15H,8-9H2,1-4H3,(H,25,27)
InChIKeyOYHFIYDDWMQLBY-UHFFFAOYSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate (CID 68921369) is tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate is CC(CCc1cccc2c1cnn2-c1ccc(F)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate?
The InChIKey is OYHFIYDDWMQLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15(25-21(27)28-22(2,3)4)8-9-16-6-5-7-20-19(16)14-24-26(20)18-12-10-17(23)11-13-18/h5-7,10-15H,8-9H2,1-4H3,(H,25,27).
What are the key properties of tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate?
tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate has a molecular weight of 383.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(4-fluorophenyl)indazol-4-yl]butan-2-yl]carbamate is sourced from PubChem (CID 68921369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).