N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide

C24H23FN4O2 — CID 91892839

IUPACN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(F)c4)ccn3n2)cc1C
InChIInChI=1S/C24H23FN4O2/c1-16-6-7-19(12-17(16)2)21-15-22-24(31)28(10-11-29(22)27-21)9-8-26-23(30)14-18-4-3-5-20(25)13-18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,26,30)
InChIKeyCSPAIHOOFBZXEM-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 91892839) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID91892839
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(F)c4)ccn3n2)cc1C
InChIInChI=1S/C24H23FN4O2/c1-16-6-7-19(12-17(16)2)21-15-22-24(31)28(10-11-29(22)27-21)9-8-26-23(30)14-18-4-3-5-20(25)13-18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,26,30)
InChIKeyCSPAIHOOFBZXEM-UHFFFAOYSA-N
XLogP3.28
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide (CID 91892839) is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide is Cc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4cccc(F)c4)ccn3n2)cc1C.
What is the InChIKey of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is CSPAIHOOFBZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16-6-7-19(12-17(16)2)21-15-22-24(31)28(10-11-29(22)27-21)9-8-26-23(30)14-18-4-3-5-20(25)13-18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 418.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91892839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).