2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide

C24H23FN4O3 — CID 91887239

IUPAC2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1
InChIInChI=1S/C24H23FN4O3/c1-15(2)16-5-9-19(10-6-16)26-21(31)13-28-11-12-29-23(24(28)32)20(14-30)22(27-29)17-3-7-18(25)8-4-17/h3-12,15,30H,13-14H2,1-2H3,(H,26,31)
InChIKeyOZEDDOKAKGZCPI-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 91887239) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID91887239
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1
InChIInChI=1S/C24H23FN4O3/c1-15(2)16-5-9-19(10-6-16)26-21(31)13-28-11-12-29-23(24(28)32)20(14-30)22(27-29)17-3-7-18(25)8-4-17/h3-12,15,30H,13-14H2,1-2H3,(H,26,31)
InChIKeyOZEDDOKAKGZCPI-UHFFFAOYSA-N
XLogP3.56
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91887305
N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91887300
N-(3-fluoro-4-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91887259
N-(3-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91887268
N-[(4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)-2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91894137
ethyl 2-[[2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 91887249
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
CID 91903896
2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91887325
N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91913713
2-[(9R)-9-methyl-1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 99745195
N-butyl-2-[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91893981
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40913662

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 91887239) is 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OZEDDOKAKGZCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15(2)16-5-9-19(10-6-16)26-21(31)13-28-11-12-29-23(24(28)32)20(14-30)22(27-29)17-3-7-18(25)8-4-17/h3-12,15,30H,13-14H2,1-2H3,(H,26,31).
What are the key properties of 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 434.47 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 91887239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).