3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N4O2 — CID 98132985

IUPAC3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2ccccn2)nc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C18H14N4O2/c23-17-10-14(12-24-16-8-4-5-9-19-16)21-18-15(11-20-22(17)18)13-6-2-1-3-7-13/h1-11,20H,12H2
InChIKeyMPTNNHNLQCPCRZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.66
Rot. Bonds4

About 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98132985) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98132985
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2ccccn2)nc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C18H14N4O2/c23-17-10-14(12-24-16-8-4-5-9-19-16)21-18-15(11-20-22(17)18)13-6-2-1-3-7-13/h1-11,20H,12H2
InChIKeyMPTNNHNLQCPCRZ-UHFFFAOYSA-N
XLogP2.66
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98132985) is 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(COc2ccccn2)nc2c(-c3ccccc3)c[nH]n12.
What is the InChIKey of 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MPTNNHNLQCPCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17-10-14(12-24-16-8-4-5-9-19-16)21-18-15(11-20-22(17)18)13-6-2-1-3-7-13/h1-11,20H,12H2.
What are the key properties of 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(pyridin-2-yloxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98132985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).