6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C26H23N5O3S — CID 15430070

IUPAC6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23N5O3S/c1-33-20-13-9-17(10-14-20)27-26-28-23-22(24(35-3)29-31(23)19-7-5-4-6-8-19)25(32)30(26)18-11-15-21(34-2)16-12-18/h4-16H,1-3H3,(H,27,28)
InChIKeyXFBOMINNALCESS-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.05
Rot. Bonds7

About 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15430070) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15430070
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23N5O3S/c1-33-20-13-9-17(10-14-20)27-26-28-23-22(24(35-3)29-31(23)19-7-5-4-6-8-19)25(32)30(26)18-11-15-21(34-2)16-12-18/h4-16H,1-3H3,(H,27,28)
InChIKeyXFBOMINNALCESS-UHFFFAOYSA-N
XLogP5.05
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

5-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 24827369
5-amino-6-(4-fluoroanilino)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 25067900
3-methylsulfanyl-1,5-diphenyl-6-(pyridin-3-ylmethylamino)pyrazolo[5,4-d]pyrimidin-4-one
CID 11259240
5-amino-6-(3-fluoroanilino)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 25068227
8-methyl-3-methylsulfanyl-5,11-diphenyl-12-(propan-2-ylamino)-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,6,8,12-pentaen-10-one
CID 25172764
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1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58975976
[7-(4-methoxyphenyl)-2-(4-methylsulfanylphenyl)-6,8-dioxo-5-phenylpyrimido[4,5-e][1,2,4]triazin-3-ylidene]cyanamide
CID 101362134
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
CID 53355224
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
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CID 102581194

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 15430070) is 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(Nc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XFBOMINNALCESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-33-20-13-9-17(10-14-20)27-26-28-23-22(24(35-3)29-31(23)19-7-5-4-6-8-19)25(32)30(26)18-11-15-21(34-2)16-12-18/h4-16H,1-3H3,(H,27,28).
What are the key properties of 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 485.57 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)-5-(4-methoxyphenyl)-3-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15430070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).