2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

C17H25FN4O — CID 129477091

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C17H25FN4O/c1-21-7-6-19-16(21)12-22-11-14(18)9-15(22)10-20-17(23)8-13-4-2-3-5-13/h2,4,6-7,13-15H,3,5,8-12H2,1H3,(H,20,23)/t13-,14+,15+/m1/s1
InChIKeyYMXUGFFJEUOJJU-ILXRZTDVSA-N
MW320.41 g/mol
LogP1.80
Rot. Bonds6

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129477091) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129477091
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1C=CCC1
InChIInChI=1S/C17H25FN4O/c1-21-7-6-19-16(21)12-22-11-14(18)9-15(22)10-20-17(23)8-13-4-2-3-5-13/h2,4,6-7,13-15H,3,5,8-12H2,1H3,(H,20,23)/t13-,14+,15+/m1/s1
InChIKeyYMXUGFFJEUOJJU-ILXRZTDVSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopent-2-en-1-yl-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 56778645
N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207
N-(1-imidazol-1-ylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 51079756
2-cyclopent-2-en-1-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
CID 47789015
2-[(1S)-cyclopent-2-en-1-yl]-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 52471412
2-[(1R)-cyclopent-2-en-1-yl]-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 52471414
2-cyclopent-2-en-1-yl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 53584862
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propyl]-2-methylguanidine
CID 109605550
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]-2-methylguanidine
CID 109609464
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]-3-ethylguanidine
CID 109610820
1-[1-(Cyclohexanecarbonyl)pyrrolidin-3-yl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine
CID 109798914
1-[1-(Cyclohexanecarbonyl)pyrrolidin-3-yl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethylguanidine
CID 109799344

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129477091) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)C[C@@H]1C=CCC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is YMXUGFFJEUOJJU-ILXRZTDVSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-21-7-6-19-16(21)12-22-11-14(18)9-15(22)10-20-17(23)8-13-4-2-3-5-13/h2,4,6-7,13-15H,3,5,8-12H2,1H3,(H,20,23)/t13-,14+,15+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 320.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129477091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).