2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide

C26H27FN4O2 — CID 162533325

IUPAC2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(O)c(F)c3)c(CC(=O)N(CC)c3ccccc3)c2n1
InChIInChI=1S/C26H27FN4O2/c1-4-18-15-19(5-2)31-26(28-18)21(25(29-31)17-12-13-23(32)22(27)14-17)16-24(33)30(6-3)20-10-8-7-9-11-20/h7-15,32H,4-6,16H2,1-3H3
InChIKeyAORDPWOYZPIDFM-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.96
Rot. Bonds7

About 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide

2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide (PubChem CID 162533325) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
PubChem CID162533325
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(O)c(F)c3)c(CC(=O)N(CC)c3ccccc3)c2n1
InChIInChI=1S/C26H27FN4O2/c1-4-18-15-19(5-2)31-26(28-18)21(25(29-31)17-12-13-23(32)22(27)14-17)16-24(33)30(6-3)20-10-8-7-9-11-20/h7-15,32H,4-6,16H2,1-3H3
InChIKeyAORDPWOYZPIDFM-UHFFFAOYSA-N
XLogP4.96
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5,7-diethyl-2-[4-(3-fluoroprop-1-ynyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
CID 169002730
2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
CID 171619043
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 17001099
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 122591429
N-ethyl-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 7770871
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 82155166
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide (CID 162533325) is 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide is CCc1cc(CC)n2nc(-c3ccc(O)c(F)c3)c(CC(=O)N(CC)c3ccccc3)c2n1.
What is the InChIKey of 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide?
The InChIKey is AORDPWOYZPIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-4-18-15-19(5-2)31-26(28-18)21(25(29-31)17-12-13-23(32)22(27)14-17)16-24(33)30(6-3)20-10-8-7-9-11-20/h7-15,32H,4-6,16H2,1-3H3.
What are the key properties of 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide?
2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-diethyl-2-(3-fluoro-4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 162533325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).