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

C23H24FN5O2 — CID 118937817

IUPACN-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCC1(C)CC1NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C23H24FN5O2/c1-23(2)12-20(23)26-21(30)14-27-10-11-28(22(27)31)17-8-5-9-18-15(17)13-25-29(18)19-7-4-3-6-16(19)24/h3-9,13,20H,10-12,14H2,1-2H3,(H,26,30)
InChIKeyKHXHVSJYIRLSIC-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.32
Rot. Bonds5

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

N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 118937817) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID118937817
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC NameN-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCC1(C)CC1NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C23H24FN5O2/c1-23(2)12-20(23)26-21(30)14-27-10-11-28(22(27)31)17-8-5-9-18-15(17)13-25-29(18)19-7-4-3-6-16(19)24/h3-9,13,20H,10-12,14H2,1-2H3,(H,26,30)
InChIKeyKHXHVSJYIRLSIC-UHFFFAOYSA-N
XLogP3.32
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (CID 118937817) is N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is CC1(C)CC1NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is KHXHVSJYIRLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-23(2)12-20(23)26-21(30)14-27-10-11-28(22(27)31)17-8-5-9-18-15(17)13-25-29(18)19-7-4-3-6-16(19)24/h3-9,13,20H,10-12,14H2,1-2H3,(H,26,30).
What are the key properties of N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 421.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118937817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).