2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide

C23H21FN4O3 — CID 56531892

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O3/c1-14-20(15(2)28-21(25-14)12-23(30)27-28)11-22(29)26-18-4-3-5-19(10-18)31-13-16-6-8-17(24)9-7-16/h3-10,12H,11,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRENGVLTZKIPWLE-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.54
Rot. Bonds6

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide (PubChem CID 56531892) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
PubChem CID56531892
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C23H21FN4O3/c1-14-20(15(2)28-21(25-14)12-23(30)27-28)11-22(29)26-18-4-3-5-19(10-18)31-13-16-6-8-17(24)9-7-16/h3-10,12H,11,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyRENGVLTZKIPWLE-UHFFFAOYSA-N
XLogP3.54
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 56549830
dimethyl 5-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 56531596
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]acetamide
CID 56531816
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 46598990
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 34607272
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 34607878
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 56576578
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 56531857
N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56540542
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 56531921
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide (CID 56531892) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
The InChIKey is RENGVLTZKIPWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-14-20(15(2)28-21(25-14)12-23(30)27-28)11-22(29)26-18-4-3-5-19(10-18)31-13-16-6-8-17(24)9-7-16/h3-10,12H,11,13H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide has a molecular weight of 420.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 56531892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).