N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide

C23H21FN4O3 — CID 136742048

IUPACN-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
SMILESCCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C23H21FN4O3/c1-3-18-21(14-7-9-16(24)10-8-14)27-28-19(23(31)26-22(18)28)12-20(30)25-17-6-4-5-15(11-17)13(2)29/h4-11,19H,3,12H2,1-2H3,(H,25,30)(H,26,31)/t19-/m1/s1
InChIKeyRHFRGCNFZIJTQT-LJQANCHMSA-N
MW420.44 g/mol
LogP3.98
Rot. Bonds6

About N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide

N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide (PubChem CID 136742048) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
PubChem CID136742048
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
SMILESCCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C23H21FN4O3/c1-3-18-21(14-7-9-16(24)10-8-14)27-28-19(23(31)26-22(18)28)12-20(30)25-17-6-4-5-15(11-17)13(2)29/h4-11,19H,3,12H2,1-2H3,(H,25,30)(H,26,31)/t19-/m1/s1
InChIKeyRHFRGCNFZIJTQT-LJQANCHMSA-N
XLogP3.98
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
CID 136728314
2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 136742030
N-(3-fluorophenyl)-2-[(6R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135950481
N-(3-acetylphenyl)-2-[4-(4-fluorophenyl)-2,2-dimethyl-5-oxoimidazol-1-yl]acetamide
CID 53490509
N-(4-fluorophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635975
N-(4-fluorophenyl)-2-[(6S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902818
2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide
CID 135898452
N-(3-acetylphenyl)-2-[(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135408374
N-(3,4-difluorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135993921
N-(4-methylphenyl)-2-[(3R)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136826173
N-(3-acetylphenyl)propanamide
CID 903063
N-(4-acetylphenyl)-2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135925036

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide (CID 136742048) is N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide is CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@H]2CC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
The InChIKey is RHFRGCNFZIJTQT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-3-18-21(14-7-9-16(24)10-8-14)27-28-19(23(31)26-22(18)28)12-20(30)25-17-6-4-5-15(11-17)13(2)29/h4-11,19H,3,12H2,1-2H3,(H,25,30)(H,26,31)/t19-/m1/s1.
What are the key properties of N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide?
N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide has a molecular weight of 420.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide is sourced from PubChem (CID 136742048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).