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

C17H12N4O — CID 16661285

IUPAC4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H12N4O/c22-17-19-15(11-4-2-1-3-5-11)9-16(20-17)12-6-7-14-13(8-12)10-18-21-14/h1-10H,(H,18,21)(H,19,20,22)
InChIKeyUXUQVXDYXKMCGA-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.98
Rot. Bonds2

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

4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one (PubChem CID 16661285) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
PubChem CID16661285
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H12N4O/c22-17-19-15(11-4-2-1-3-5-11)9-16(20-17)12-6-7-14-13(8-12)10-18-21-14/h1-10H,(H,18,21)(H,19,20,22)
InChIKeyUXUQVXDYXKMCGA-UHFFFAOYSA-N
XLogP2.98
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one (CID 16661285) is 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
The InChIKey is UXUQVXDYXKMCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-19-15(11-4-2-1-3-5-11)9-16(20-17)12-6-7-14-13(8-12)10-18-21-14/h1-10H,(H,18,21)(H,19,20,22).
What are the key properties of 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one has a molecular weight of 288.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 16661285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).