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

C21H19FN4O3 — CID 136742030

IUPAC2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(C)c(-c3ccc(F)cc3)nn21
InChIInChI=1S/C21H19FN4O3/c1-12-19(13-7-9-14(22)10-8-13)25-26-16(21(28)24-20(12)26)11-18(27)23-15-5-3-4-6-17(15)29-2/h3-10,16H,11H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyFQPVAYMMFKPWEE-MRXNPFEDSA-N
MW394.41 g/mol
LogP3.53
Rot. Bonds5

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

2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 136742030) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID136742030
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(C)c(-c3ccc(F)cc3)nn21
InChIInChI=1S/C21H19FN4O3/c1-12-19(13-7-9-14(22)10-8-13)25-26-16(21(28)24-20(12)26)11-18(27)23-15-5-3-4-6-17(15)29-2/h3-10,16H,11H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyFQPVAYMMFKPWEE-MRXNPFEDSA-N
XLogP3.53
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.53
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
N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136742048
N-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650065
2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide
CID 135886840
N-(2-fluorophenyl)-2-(2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
CID 135634981
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 47150286
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650076
N-(2-ethoxyphenyl)-2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902149
2-[2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 135650045
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
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875248

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 136742030) is 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2c(C)c(-c3ccc(F)cc3)nn21.
What is the InChIKey of 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FQPVAYMMFKPWEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-12-19(13-7-9-14(22)10-8-13)25-26-16(21(28)24-20(12)26)11-18(27)23-15-5-3-4-6-17(15)29-2/h3-10,16H,11H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1.
What are the key properties of 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 394.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 136742030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).