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

C27H25N5O — CID 10574898

IUPAC6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(C)c1Nc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C27H25N5O/c1-17-10-8-11-18(2)23(17)29-27-30-25-22(16-28-32(25)21-14-6-5-7-15-21)26(33)31(27)24-19(3)12-9-13-20(24)4/h5-16H,1-4H3,(H,29,30)
InChIKeyIUDVETJGABBJAS-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.55
Rot. Bonds4

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

6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 10574898) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID10574898
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(C)c1Nc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1c(C)cccc1C
InChIInChI=1S/C27H25N5O/c1-17-10-8-11-18(2)23(17)29-27-30-25-22(16-28-32(25)21-14-6-5-7-15-21)26(33)31(27)24-19(3)12-9-13-20(24)4/h5-16H,1-4H3,(H,29,30)
InChIKeyIUDVETJGABBJAS-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-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10765336
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
6-ethyl-5-naphthalen-1-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1204122
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 15207261
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
5-(4-methylphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 143223329
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
1-(4-fluorophenyl)-6-methyl-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 3242334

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 10574898) is 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(C)c1Nc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1c(C)cccc1C.
What is the InChIKey of 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IUDVETJGABBJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-17-10-8-11-18(2)23(17)29-27-30-25-22(16-28-32(25)21-14-6-5-7-15-21)26(33)31(27)24-19(3)12-9-13-20(24)4/h5-16H,1-4H3,(H,29,30).
What are the key properties of 6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(2,6-dimethylanilino)-5-(2,6-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-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 10574898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).