6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one

C18H11F3N4O — CID 24759580

IUPAC6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(C(F)(F)F)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)13-3-1-2-10(7-13)15-8-16(24-17(26)23-15)11-4-5-14-12(6-11)9-22-25-14/h1-9H,(H,22,25)(H,23,24,26)
InChIKeyXJIYQYIDCXKECY-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.00
Rot. Bonds2

About 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one

6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one (PubChem CID 24759580) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
PubChem CID24759580
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(C(F)(F)F)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C18H11F3N4O/c19-18(20,21)13-3-1-2-10(7-13)15-8-16(24-17(26)23-15)11-4-5-14-12(6-11)9-22-25-14/h1-9H,(H,22,25)(H,23,24,26)
InChIKeyXJIYQYIDCXKECY-UHFFFAOYSA-N
XLogP4.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one (CID 24759580) is 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one is O=c1nc(-c2cccc(C(F)(F)F)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1.
What is the InChIKey of 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
The InChIKey is XJIYQYIDCXKECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-18(20,21)13-3-1-2-10(7-13)15-8-16(24-17(26)23-15)11-4-5-14-12(6-11)9-22-25-14/h1-9H,(H,22,25)(H,23,24,26).
What are the key properties of 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one?
6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one has a molecular weight of 356.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 24759580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).