5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N4O2 — CID 70925685

IUPAC5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cc(-c4cccnc4)c3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-14-6-4-12(5-7-14)16-9-17(23)22-18(21-16)15(11-20-22)13-3-2-8-19-10-13/h2-11,20H,1H3
InChIKeyDGYLRIWGRBYURW-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.76
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925685) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925685
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cc(-c4cccnc4)c3n2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-14-6-4-12(5-7-14)16-9-17(23)22-18(21-16)15(11-20-22)13-3-2-8-19-10-13/h2-11,20H,1H3
InChIKeyDGYLRIWGRBYURW-UHFFFAOYSA-N
XLogP2.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925685) is 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2cc(=O)n3[nH]cc(-c4cccnc4)c3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DGYLRIWGRBYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-14-6-4-12(5-7-14)16-9-17(23)22-18(21-16)15(11-20-22)13-3-2-8-19-10-13/h2-11,20H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).