6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one

C24H18N4O2 — CID 24759583

IUPAC6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(OCc3ccccc3)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C24H18N4O2/c29-24-26-22(13-23(27-24)18-9-10-21-19(11-18)14-25-28-21)17-7-4-8-20(12-17)30-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)(H,26,27,29)
InChIKeyPLBRKNMYWMNPRP-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.56
Rot. Bonds5

About 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one

6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 24759583) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one
PubChem CID24759583
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(OCc3ccccc3)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C24H18N4O2/c29-24-26-22(13-23(27-24)18-9-10-21-19(11-18)14-25-28-21)17-7-4-8-20(12-17)30-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)(H,26,27,29)
InChIKeyPLBRKNMYWMNPRP-UHFFFAOYSA-N
XLogP4.56
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one (CID 24759583) is 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one is O=c1nc(-c2cccc(OCc3ccccc3)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1.
What is the InChIKey of 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is PLBRKNMYWMNPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-24-26-22(13-23(27-24)18-9-10-21-19(11-18)14-25-28-21)17-7-4-8-20(12-17)30-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,25,28)(H,26,27,29).
What are the key properties of 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 394.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-4-(3-phenylmethoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 24759583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).