3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H11FN4O — CID 70925446

IUPAC3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccnc2)nc2c(-c3ccc(F)cc3)c[nH]n12
InChIInChI=1S/C17H11FN4O/c18-13-5-3-11(4-6-13)14-10-20-22-16(23)8-15(21-17(14)22)12-2-1-7-19-9-12/h1-10,20H
InChIKeyNKDSYSVFWINYPF-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.89
Rot. Bonds2

About 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925446) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925446
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cccnc2)nc2c(-c3ccc(F)cc3)c[nH]n12
InChIInChI=1S/C17H11FN4O/c18-13-5-3-11(4-6-13)14-10-20-22-16(23)8-15(21-17(14)22)12-2-1-7-19-9-12/h1-10,20H
InChIKeyNKDSYSVFWINYPF-UHFFFAOYSA-N
XLogP2.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925446) is 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2cccnc2)nc2c(-c3ccc(F)cc3)c[nH]n12.
What is the InChIKey of 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NKDSYSVFWINYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-5-3-11(4-6-13)14-10-20-22-16(23)8-15(21-17(14)22)12-2-1-7-19-9-12/h1-10,20H.
What are the key properties of 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 306.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).