3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N4O2 — CID 70925399

IUPAC3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)cn1
InChIInChI=1S/C18H14N4O2/c1-24-16-8-7-13(10-19-16)14-11-20-22-17(23)9-15(21-18(14)22)12-5-3-2-4-6-12/h2-11,20H,1H3
InChIKeyKMYAYHIDCZTGJZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.76
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925399) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925399
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)cn1
InChIInChI=1S/C18H14N4O2/c1-24-16-8-7-13(10-19-16)14-11-20-22-17(23)9-15(21-18(14)22)12-5-3-2-4-6-12/h2-11,20H,1H3
InChIKeyKMYAYHIDCZTGJZ-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 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925399) is 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c[nH]n3c(=O)cc(-c4ccccc4)nc23)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KMYAYHIDCZTGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-16-8-7-13(10-19-16)14-11-20-22-17(23)9-15(21-18(14)22)12-5-3-2-4-6-12/h2-11,20H,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(6-methoxy-3-pyridinyl)-5-phenyl-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 3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).