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

C18H14N4O — CID 5329466

IUPAC3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1
InChIInChI=1S/C18H14N4O/c1-23-16-4-2-14(3-5-16)17-11-21-22-12-15(10-20-18(17)22)13-6-8-19-9-7-13/h2-12H,1H3
InChIKeyZPOVCQHUDFHVQK-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.47
Rot. Bonds3

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

3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 5329466) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID5329466
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1
InChIInChI=1S/C18H14N4O/c1-23-16-4-2-14(3-5-16)17-11-21-22-12-15(10-20-18(17)22)13-6-8-19-9-7-13/h2-12H,1H3
InChIKeyZPOVCQHUDFHVQK-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 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 5329466) is 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnn3cc(-c4ccncc4)cnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZPOVCQHUDFHVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-16-4-2-14(3-5-16)17-11-21-22-12-15(10-20-18(17)22)13-6-8-19-9-7-13/h2-12H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(4-methoxyphenyl)-6-pyridin-4-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 3-(4-methoxyphenyl)-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5329466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).