7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine

C26H28N4O — CID 3230076

IUPAC7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCCC1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3cccc(OC)c3)nn12
InChIInChI=1S/C26H28N4O/c1-3-21-13-7-8-15-29(21)26-18-23(19-10-5-4-6-11-19)27-25-17-24(28-30(25)26)20-12-9-14-22(16-20)31-2/h4-6,9-12,14,16-18,21H,3,7-8,13,15H2,1-2H3
InChIKeyPZZZQXHGWQGXOV-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.84
Rot. Bonds5

About 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine

7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3230076) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3230076
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCCC1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3cccc(OC)c3)nn12
InChIInChI=1S/C26H28N4O/c1-3-21-13-7-8-15-29(21)26-18-23(19-10-5-4-6-11-19)27-25-17-24(28-30(25)26)20-12-9-14-22(16-20)31-2/h4-6,9-12,14,16-18,21H,3,7-8,13,15H2,1-2H3
InChIKeyPZZZQXHGWQGXOV-UHFFFAOYSA-N
XLogP5.84
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 3230076) is 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine is CCC1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3cccc(OC)c3)nn12.
What is the InChIKey of 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PZZZQXHGWQGXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-3-21-13-7-8-15-29(21)26-18-23(19-10-5-4-6-11-19)27-25-17-24(28-30(25)26)20-12-9-14-22(16-20)31-2/h4-6,9-12,14,16-18,21H,3,7-8,13,15H2,1-2H3.
What are the key properties of 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 412.54 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3230076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).