2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide

C23H21FN4O4 — CID 16956988

IUPAC2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ccn3n2)cc1OC
InChIInChI=1S/C23H21FN4O4/c1-14-4-6-16(11-17(14)24)25-22(29)13-27-8-9-28-19(23(27)30)12-18(26-28)15-5-7-20(31-2)21(10-15)32-3/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyLZWHPEUEFKIRIH-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.27
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide

2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 16956988) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID16956988
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ccn3n2)cc1OC
InChIInChI=1S/C23H21FN4O4/c1-14-4-6-16(11-17(14)24)25-22(29)13-27-8-9-28-19(23(27)30)12-18(26-28)15-5-7-20(31-2)21(10-15)32-3/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyLZWHPEUEFKIRIH-UHFFFAOYSA-N
XLogP3.27
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 16956988) is 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C)c(F)c4)ccn3n2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is LZWHPEUEFKIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-14-4-6-16(11-17(14)24)25-22(29)13-27-8-9-28-19(23(27)30)12-18(26-28)15-5-7-20(31-2)21(10-15)32-3/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 436.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 16956988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).