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

C24H18N4O2 — CID 24759684

IUPAC4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccc(OCc3ccccc3)cc2)[nH]1
InChIInChI=1S/C24H18N4O2/c29-24-26-22(13-23(27-24)18-8-11-21-19(12-18)14-25-28-21)17-6-9-20(10-7-17)30-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,25,28)(H,26,27,29)
InChIKeyGRPUDRZZQXJWLG-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.56
Rot. Bonds5

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

4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 24759684) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one
PubChem CID24759684
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccc(OCc3ccccc3)cc2)[nH]1
InChIInChI=1S/C24H18N4O2/c29-24-26-22(13-23(27-24)18-8-11-21-19(12-18)14-25-28-21)17-6-9-20(10-7-17)30-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,25,28)(H,26,27,29)
InChIKeyGRPUDRZZQXJWLG-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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Related Compounds

1-(8-cyclohexylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11516653
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
1-(8-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11653471
6-[3-(Benzyloxy)phenyl]-4-(1h-indazol-5-yl)pyrimidin-2(1h)-one
CID 24759583
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
1-(1H-indazol-4-yl)-3-(6-methylchroman-4-yl)urea
CID 53251330
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
CID 134179643
(R)-1-(8-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11588638
(S)-1-(8-tert-butylchroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11682087
4-(5-Methyl-1H-indazol-1-YL)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide
CID 22510225
US11168070, Example 14
CID 132181592

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one (CID 24759684) is 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one is O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccc(OCc3ccccc3)cc2)[nH]1.
What is the InChIKey of 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is GRPUDRZZQXJWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-24-26-22(13-23(27-24)18-8-11-21-19(12-18)14-25-28-21)17-6-9-20(10-7-17)30-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,25,28)(H,26,27,29).
What are the key properties of 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one?
4-(1H-indazol-5-yl)-6-(4-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 4-(1H-indazol-5-yl)-6-(4-phenylmethoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 24759684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).