N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

C22H22FN5O2 — CID 118937602

IUPACN-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CCC1
InChIInChI=1S/C22H22FN5O2/c23-17-7-1-2-8-20(17)28-19-10-4-9-18(16(19)13-24-28)27-12-11-26(22(27)30)14-21(29)25-15-5-3-6-15/h1-2,4,7-10,13,15H,3,5-6,11-12,14H2,(H,25,29)
InChIKeyQFRGACWQVZJSMB-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.08
Rot. Bonds5

About N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 118937602) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID118937602
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CCC1
InChIInChI=1S/C22H22FN5O2/c23-17-7-1-2-8-20(17)28-19-10-4-9-18(16(19)13-24-28)27-12-11-26(22(27)30)14-21(29)25-15-5-3-6-15/h1-2,4,7-10,13,15H,3,5-6,11-12,14H2,(H,25,29)
InChIKeyQFRGACWQVZJSMB-UHFFFAOYSA-N
XLogP3.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (CID 118937602) is N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is QFRGACWQVZJSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-17-7-1-2-8-20(17)28-19-10-4-9-18(16(19)13-24-28)27-12-11-26(22(27)30)14-21(29)25-15-5-3-6-15/h1-2,4,7-10,13,15H,3,5-6,11-12,14H2,(H,25,29).
What are the key properties of N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118937602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).