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

C20H17FN4O2 — CID 92588422

IUPAC2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3cccnc3OC)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2/c1-3-15-18(12-6-8-13(21)9-7-12)19-23-16(11-17(26)25(19)24-15)14-5-4-10-22-20(14)27-2/h4-11,24H,3H2,1-2H3
InChIKeyMLUROWRBGVOMPJ-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.46
Rot. Bonds4

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

2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92588422) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92588422
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3cccnc3OC)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2/c1-3-15-18(12-6-8-13(21)9-7-12)19-23-16(11-17(26)25(19)24-15)14-5-4-10-22-20(14)27-2/h4-11,24H,3H2,1-2H3
InChIKeyMLUROWRBGVOMPJ-UHFFFAOYSA-N
XLogP3.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.46
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
1-[(2-methoxy-5-methyl-4-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421386
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-(2,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925361
3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925399
5-Methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one
CID 70925452

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92588422) is 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(-c3cccnc3OC)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MLUROWRBGVOMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-3-15-18(12-6-8-13(21)9-7-12)19-23-16(11-17(26)25(19)24-15)14-5-4-10-22-20(14)27-2/h4-11,24H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 364.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluorophenyl)-5-(2-methoxy-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92588422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).