1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone

C26H28N4O2 — CID 58206892

IUPAC1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
SMILESCC(C)(C)c1ccc(C(=O)Cc2cc(NCCc3ccc(O)cc3)n3nccc3n2)cc1
InChIInChI=1S/C26H28N4O2/c1-26(2,3)20-8-6-19(7-9-20)23(32)16-21-17-25(30-24(29-21)13-15-28-30)27-14-12-18-4-10-22(31)11-5-18/h4-11,13,15,17,27,31H,12,14,16H2,1-3H3
InChIKeyUANPDKNDLOEHCH-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.81
Rot. Bonds7

About 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone

1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone (PubChem CID 58206892) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
PubChem CID58206892
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
SMILESCC(C)(C)c1ccc(C(=O)Cc2cc(NCCc3ccc(O)cc3)n3nccc3n2)cc1
InChIInChI=1S/C26H28N4O2/c1-26(2,3)20-8-6-19(7-9-20)23(32)16-21-17-25(30-24(29-21)13-15-28-30)27-14-12-18-4-10-22(31)11-5-18/h4-11,13,15,17,27,31H,12,14,16H2,1-3H3
InChIKeyUANPDKNDLOEHCH-UHFFFAOYSA-N
XLogP4.81
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(benzylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(4-tert-butylphenyl)ethanone
CID 58206993
1-(4-tert-butylphenyl)-2-[7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207266
1-(4-tert-butylphenyl)-2-[7-(pentan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207211
1-(4-tert-butylphenyl)-2-[7-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207195
1-(4-tert-butylphenyl)-2-[7-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207087
2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207084
1-(4-tert-butylphenyl)-2-[7-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207043
1-(4-tert-butylphenyl)-2-[7-[methyl(2-methylsulfonylethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58206986
1-(4-tert-butylphenyl)-2-[7-(2,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207283
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207171
2-[7-(3,5-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58206974
2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207103

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone (CID 58206892) is 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone is CC(C)(C)c1ccc(C(=O)Cc2cc(NCCc3ccc(O)cc3)n3nccc3n2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
The InChIKey is UANPDKNDLOEHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-26(2,3)20-8-6-19(7-9-20)23(32)16-21-17-25(30-24(29-21)13-15-28-30)27-14-12-18-4-10-22(31)11-5-18/h4-11,13,15,17,27,31H,12,14,16H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone has a molecular weight of 428.54 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-[7-[2-(4-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 58206892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).