N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide

C24H23FN4O3 — CID 91892775

IUPACN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c(C)c1
InChIInChI=1S/C24H23FN4O3/c1-16-3-8-20(17(2)13-16)21-14-22-24(31)28(11-12-29(22)27-21)10-9-26-23(30)15-32-19-6-4-18(25)5-7-19/h3-8,11-14H,9-10,15H2,1-2H3,(H,26,30)
InChIKeyHZIHJNDVTFBQCY-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.11
Rot. Bonds7

About N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide

N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 91892775) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID91892775
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c(C)c1
InChIInChI=1S/C24H23FN4O3/c1-16-3-8-20(17(2)13-16)21-14-22-24(31)28(11-12-29(22)27-21)10-9-26-23(30)15-32-19-6-4-18(25)5-7-19/h3-8,11-14H,9-10,15H2,1-2H3,(H,26,30)
InChIKeyHZIHJNDVTFBQCY-UHFFFAOYSA-N
XLogP3.11
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 91892771
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-fluorobenzamide
CID 91892782
2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
CID 91892902
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892798
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 91892789
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-2-carboxamide
CID 91909242
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
2-(2,4-dimethylphenyl)-5-[2-(4-ethoxyphenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889236
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
CID 91892722
N-[2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]furan-3-carboxamide
CID 175667283
N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methylthiophene-2-carboxamide
CID 91892640
4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892918

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide (CID 91892775) is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide is Cc1ccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c(C)c1.
What is the InChIKey of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is HZIHJNDVTFBQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-16-3-8-20(17(2)13-16)21-14-22-24(31)28(11-12-29(22)27-21)10-9-26-23(30)15-32-19-6-4-18(25)5-7-19/h3-8,11-14H,9-10,15H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 434.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 91892775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).