tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate

C24H26FN5O3 — CID 118937624

IUPACtert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C24H26FN5O3/c1-24(2,3)33-23(32)27-14-16(15-27)28-11-12-29(22(28)31)19-9-6-10-20-17(19)13-26-30(20)21-8-5-4-7-18(21)25/h4-10,13,16H,11-12,14-15H2,1-3H3
InChIKeyVWZGTJUVMAIWDD-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.03
Rot. Bonds3

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

tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate (PubChem CID 118937624) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate
PubChem CID118937624
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Nametert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1
InChIInChI=1S/C24H26FN5O3/c1-24(2,3)33-23(32)27-14-16(15-27)28-11-12-29(22(28)31)19-9-6-10-20-17(19)13-26-30(20)21-8-5-4-7-18(21)25/h4-10,13,16H,11-12,14-15H2,1-3H3
InChIKeyVWZGTJUVMAIWDD-UHFFFAOYSA-N
XLogP4.03
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate (CID 118937624) is tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)C1.
What is the InChIKey of tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate?
The InChIKey is VWZGTJUVMAIWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-24(2,3)33-23(32)27-14-16(15-27)28-11-12-29(22(28)31)19-9-6-10-20-17(19)13-26-30(20)21-8-5-4-7-18(21)25/h4-10,13,16H,11-12,14-15H2,1-3H3.
What are the key properties of tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate?
tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate has a molecular weight of 451.50 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 118937624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).