tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate

C22H23FN4O3 — CID 138961760

IUPACtert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate
SMILESC[C@@H]1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H23FN4O3/c1-14-13-25(20(28)26(14)21(29)30-22(2,3)4)17-10-7-11-18-15(17)12-24-27(18)19-9-6-5-8-16(19)23/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyMIGHGHRFAAQAGI-CQSZACIVSA-N
MW410.45 g/mol
LogP4.73
Rot. Bonds2

About tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate

tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate (PubChem CID 138961760) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate
PubChem CID138961760
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Nametert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate
SMILESC[C@@H]1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H23FN4O3/c1-14-13-25(20(28)26(14)21(29)30-22(2,3)4)17-10-7-11-18-15(17)12-24-27(18)19-9-6-5-8-16(19)23/h5-12,14H,13H2,1-4H3/t14-/m1/s1
InChIKeyMIGHGHRFAAQAGI-CQSZACIVSA-N
XLogP4.73
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate (CID 138961760) is tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate is C[C@@H]1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate?
The InChIKey is MIGHGHRFAAQAGI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-13-25(20(28)26(14)21(29)30-22(2,3)4)17-10-7-11-18-15(17)12-24-27(18)19-9-6-5-8-16(19)23/h5-12,14H,13H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate?
tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate has a molecular weight of 410.45 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-3-[1-(2-fluorophenyl)indazol-4-yl]-5-methyl-2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 138961760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).