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

C18H13FN4O2 — CID 92611524

IUPAC2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C18H13FN4O2/c1-25-18-13(6-3-7-20-18)15-10-17(24)23-16(21-15)9-14(22-23)11-4-2-5-12(19)8-11/h2-10,22H,1H3
InChIKeyQCIOBTCQZXOKJV-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.90
Rot. Bonds3

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

2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92611524) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92611524
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(-c3cccc(F)c3)cc2n1
InChIInChI=1S/C18H13FN4O2/c1-25-18-13(6-3-7-20-18)15-10-17(24)23-16(21-15)9-14(22-23)11-4-2-5-12(19)8-11/h2-10,22H,1H3
InChIKeyQCIOBTCQZXOKJV-UHFFFAOYSA-N
XLogP2.90
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92611524) is 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ncccc1-c1cc(=O)n2[nH]c(-c3cccc(F)c3)cc2n1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QCIOBTCQZXOKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-25-18-13(6-3-7-20-18)15-10-17(24)23-16(21-15)9-14(22-23)11-4-2-5-12(19)8-11/h2-10,22H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 336.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92611524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).