6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one

C17H11FN4O — CID 24759581

IUPAC6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2F)[nH]1
InChIInChI=1S/C17H11FN4O/c18-13-4-2-1-3-12(13)16-8-15(20-17(23)21-16)10-5-6-14-11(7-10)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23)
InChIKeyYOAXEIQBHIJOOA-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.12
Rot. Bonds2

About 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one

6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one (PubChem CID 24759581) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one
PubChem CID24759581
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2F)[nH]1
InChIInChI=1S/C17H11FN4O/c18-13-4-2-1-3-12(13)16-8-15(20-17(23)21-16)10-5-6-14-11(7-10)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23)
InChIKeyYOAXEIQBHIJOOA-UHFFFAOYSA-N
XLogP3.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one (CID 24759581) is 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one is O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2F)[nH]1.
What is the InChIKey of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The InChIKey is YOAXEIQBHIJOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-4-2-1-3-12(13)16-8-15(20-17(23)21-16)10-5-6-14-11(7-10)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23).
What are the key properties of 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one has a molecular weight of 306.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 24759581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).