5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one

C26H21N3O3 — CID 134347333

IUPAC5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(O)n(C)c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C26H21N3O3/c1-28-24-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)27-29(24)26(31)22(25(28)30)18-13-15-20(32-2)16-14-18/h3-16,30H,1-2H3
InChIKeyCWWYXTSFAIPNRH-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.75
Rot. Bonds4

About 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one

5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134347333) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134347333
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(O)n(C)c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C26H21N3O3/c1-28-24-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)27-29(24)26(31)22(25(28)30)18-13-15-20(32-2)16-14-18/h3-16,30H,1-2H3
InChIKeyCWWYXTSFAIPNRH-UHFFFAOYSA-N
XLogP4.75
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one (CID 134347333) is 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(O)n(C)c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1.
What is the InChIKey of 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CWWYXTSFAIPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-28-24-21(17-9-5-3-6-10-17)23(19-11-7-4-8-12-19)27-29(24)26(31)22(25(28)30)18-13-15-20(32-2)16-14-18/h3-16,30H,1-2H3.
What are the key properties of 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one?
5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 423.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(4-methoxyphenyl)-4-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134347333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).