5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H16N4O2 — CID 92558201

IUPAC5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C19H16N4O2/c1-12-5-7-13(8-6-12)15-10-17-21-16(11-18(24)23(17)22-15)14-4-3-9-20-19(14)25-2/h3-11,22H,1-2H3
InChIKeyAGYDXEFBKAWJJG-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.07
Rot. Bonds3

About 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92558201) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92558201
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C19H16N4O2/c1-12-5-7-13(8-6-12)15-10-17-21-16(11-18(24)23(17)22-15)14-4-3-9-20-19(14)25-2/h3-11,22H,1-2H3
InChIKeyAGYDXEFBKAWJJG-UHFFFAOYSA-N
XLogP3.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92558201) is 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ncccc1-c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1.
What is the InChIKey of 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AGYDXEFBKAWJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-5-7-13(8-6-12)15-10-17-21-16(11-18(24)23(17)22-15)14-4-3-9-20-19(14)25-2/h3-11,22H,1-2H3.
What are the key properties of 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-pyridinyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92558201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).