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

C21H20FN5O2 — CID 118937849

IUPACN-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CC1
InChIInChI=1S/C21H20FN5O2/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)12-23-27)26-11-10-25(21(26)29)13-20(28)24-14-8-9-14/h1-7,12,14H,8-11,13H2,(H,24,28)
InChIKeyRTLVFTLHWCSMKT-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.69
Rot. Bonds5

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

N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 118937849) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID118937849
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CC1
InChIInChI=1S/C21H20FN5O2/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)12-23-27)26-11-10-25(21(26)29)13-20(28)24-14-8-9-14/h1-7,12,14H,8-11,13H2,(H,24,28)
InChIKeyRTLVFTLHWCSMKT-UHFFFAOYSA-N
XLogP2.69
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748373
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,5-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748374
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-fluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749355
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,3-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749462
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
1-[[3-tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162647847
1-[[3-Tert-butyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162655621
1-[[3-Tert-butyl-1-(3-chloro-4-fluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162661665
1-[[3-tert-butyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162664684
1-[[3-Tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162671174
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (CID 118937849) is N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is RTLVFTLHWCSMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-4-1-2-5-19(16)27-18-7-3-6-17(15(18)12-23-27)26-11-10-25(21(26)29)13-20(28)24-14-8-9-14/h1-7,12,14H,8-11,13H2,(H,24,28).
What are the key properties of N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118937849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).