6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

C18H14N4O — CID 5329459

IUPAC6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnc3c(-c4ccccn4)cnn3c2)cc1
InChIInChI=1S/C18H14N4O/c1-23-15-7-5-13(6-8-15)14-10-20-18-16(11-21-22(18)12-14)17-4-2-3-9-19-17/h2-12H,1H3
InChIKeyIWPOCTAEAYXFHU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.47
Rot. Bonds3

About 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329459) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329459
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnc3c(-c4ccccn4)cnn3c2)cc1
InChIInChI=1S/C18H14N4O/c1-23-15-7-5-13(6-8-15)14-10-20-18-16(11-21-22(18)12-14)17-4-2-3-9-19-17/h2-12H,1H3
InChIKeyIWPOCTAEAYXFHU-UHFFFAOYSA-N
XLogP3.47
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (CID 5329459) is 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnc3c(-c4ccccn4)cnn3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IWPOCTAEAYXFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-15-7-5-13(6-8-15)14-10-20-18-16(11-21-22(18)12-14)17-4-2-3-9-19-17/h2-12H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 302.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).