6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C27H25N5O — CID 10765336

IUPAC6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C27H25N5O/c1-17-10-12-23(19(3)14-17)29-27-30-25-22(16-28-32(25)21-8-6-5-7-9-21)26(33)31(27)24-13-11-18(2)15-20(24)4/h5-16H,1-4H3,(H,29,30)
InChIKeyUMRFLLRJGRBRHR-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.55
Rot. Bonds4

About 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 10765336) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID10765336
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C27H25N5O/c1-17-10-12-23(19(3)14-17)29-27-30-25-22(16-28-32(25)21-8-6-5-7-9-21)26(33)31(27)24-13-11-18(2)15-20(24)4/h5-16H,1-4H3,(H,29,30)
InChIKeyUMRFLLRJGRBRHR-UHFFFAOYSA-N
XLogP5.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10549386
6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10574898
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 15207261
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
6-ethyl-5-naphthalen-1-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1204122
1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 3242334
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
3-amino-6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 10761943
6-methyl-5-[(4-methylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 23905910

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 10765336) is 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(Nc2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UMRFLLRJGRBRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-17-10-12-23(19(3)14-17)29-27-30-25-22(16-28-32(25)21-8-6-5-7-9-21)26(33)31(27)24-13-11-18(2)15-20(24)4/h5-16H,1-4H3,(H,29,30).
What are the key properties of 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 435.53 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 10765336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).