5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one

C20H16N4O — CID 13232090

IUPAC5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(/C=C/c2cc(=O)n3c(ccn3-c3ccccc3)n2)n1
InChIInChI=1S/C20H16N4O/c1-15-6-5-7-16(21-15)10-11-17-14-20(25)24-19(22-17)12-13-23(24)18-8-3-2-4-9-18/h2-14H,1H3/b11-10+
InChIKeyOZISKQCQLLHTQC-ZHACJKMWSA-N
MW328.38 g/mol
LogP3.36
Rot. Bonds3

About 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one

5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 13232090) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID13232090
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(/C=C/c2cc(=O)n3c(ccn3-c3ccccc3)n2)n1
InChIInChI=1S/C20H16N4O/c1-15-6-5-7-16(21-15)10-11-17-14-20(25)24-19(22-17)12-13-23(24)18-8-3-2-4-9-18/h2-14H,1H3/b11-10+
InChIKeyOZISKQCQLLHTQC-ZHACJKMWSA-N
XLogP3.36
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one (CID 13232090) is 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one is Cc1cccc(/C=C/c2cc(=O)n3c(ccn3-c3ccccc3)n2)n1.
What is the InChIKey of 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OZISKQCQLLHTQC-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H16N4O/c1-15-6-5-7-16(21-15)10-11-17-14-20(25)24-19(22-17)12-13-23(24)18-8-3-2-4-9-18/h2-14H,1H3/b11-10+.
What are the key properties of 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one?
5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 328.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]-1-phenylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 13232090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).