2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H13FN4O2 — CID 92611522

IUPAC2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C18H13FN4O2/c1-25-18-13(3-2-8-20-18)15-10-17(24)23-16(21-15)9-14(22-23)11-4-6-12(19)7-5-11/h2-10,22H,1H3
InChIKeyUWOZNIHBMXDOMZ-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.90
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92611522) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92611522
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ncccc1-c1cc(=O)n2[nH]c(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C18H13FN4O2/c1-25-18-13(3-2-8-20-18)15-10-17(24)23-16(21-15)9-14(22-23)11-4-6-12(19)7-5-11/h2-10,22H,1H3
InChIKeyUWOZNIHBMXDOMZ-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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Related Compounds

5-(2-methoxy-4-pyridinyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454601
5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVd)
CID 126963299
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one
CID 155809809
6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307404
6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347358
3-(4-chlorophenyl)-5-[3-(6-methoxypyridin-3-yl)phenyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192977
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 40229563
2-(4-methoxyphenyl)-7-(4-pyridylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 87052568
5-(1,3-benzodioxol-5-yl)-3-(3-fluoro-2-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925357
5-(2,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925361
5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925365
5-(4-chloro-2-methoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925382

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92611522) is 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ncccc1-c1cc(=O)n2[nH]c(-c3ccc(F)cc3)cc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UWOZNIHBMXDOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-25-18-13(3-2-8-20-18)15-10-17(24)23-16(21-15)9-14(22-23)11-4-6-12(19)7-5-11/h2-10,22H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-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-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92611522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).