2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide

C27H32FN5O3 — CID 118937714

IUPAC2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide
SMILESCC(C)CO[C@H]1CCC[C@H]1NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C27H32FN5O3/c1-18(2)17-36-25-12-5-8-21(25)30-26(34)16-31-13-14-32(27(31)35)22-10-6-11-23-19(22)15-29-33(23)24-9-4-3-7-20(24)28/h3-4,6-7,9-11,15,18,21,25H,5,8,12-14,16-17H2,1-2H3,(H,30,34)/t21-,25+/m1/s1
InChIKeyJTYPAPSDGPCBLW-BWKNWUBXSA-N
MW493.58 g/mol
LogP4.12
Rot. Bonds8

About 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide

2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide (PubChem CID 118937714) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide
PubChem CID118937714
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide
SMILESCC(C)CO[C@H]1CCC[C@H]1NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C27H32FN5O3/c1-18(2)17-36-25-12-5-8-21(25)30-26(34)16-31-13-14-32(27(31)35)22-10-6-11-23-19(22)15-29-33(23)24-9-4-3-7-20(24)28/h3-4,6-7,9-11,15,18,21,25H,5,8,12-14,16-17H2,1-2H3,(H,30,34)/t21-,25+/m1/s1
InChIKeyJTYPAPSDGPCBLW-BWKNWUBXSA-N
XLogP4.12
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
CID 118937554
N-tert-butyl-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
CID 118937690
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937893
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937896
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937676
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 118937760
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 118937558
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(2S)-2-hydroxybutyl]imidazolidin-2-one
CID 118937567
propan-2-yl 3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidine-1-carboxylate
CID 118937589
1-[2-[(4aS)-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidin-2-yl]-2-oxoethyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
CID 118937836
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one
CID 118937637
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
CID 118937859

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide?
The IUPAC name of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide (CID 118937714) is 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide.
What is the SMILES notation for 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide?
The canonical SMILES for 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide is CC(C)CO[C@H]1CCC[C@H]1NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide?
The InChIKey is JTYPAPSDGPCBLW-BWKNWUBXSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-18(2)17-36-25-12-5-8-21(25)30-26(34)16-31-13-14-32(27(31)35)22-10-6-11-23-19(22)15-29-33(23)24-9-4-3-7-20(24)28/h3-4,6-7,9-11,15,18,21,25H,5,8,12-14,16-17H2,1-2H3,(H,30,34)/t21-,25+/m1/s1.
What are the key properties of 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide?
2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide has a molecular weight of 493.58 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]-N-[(1R,2S)-2-(2-methylpropoxy)cyclopentyl]acetamide is sourced from PubChem (CID 118937714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).