6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C25H21N5O — CID 10549386

IUPAC6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1Nc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1C
InChIInChI=1S/C25H21N5O/c1-17-10-6-8-14-21(17)27-25-28-23-20(16-26-30(23)19-12-4-3-5-13-19)24(31)29(25)22-15-9-7-11-18(22)2/h3-16H,1-2H3,(H,27,28)
InChIKeyNNAFHOYYXWIJTK-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.93
Rot. Bonds4

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

6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 10549386) has the molecular formula C25H21N5O and a molecular weight of 407.48 g/mol. Its IUPAC name is 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID10549386
Molecular FormulaC25H21N5O
Molecular Weight407.48 g/mol
Exact Mass407.17
IUPAC Name6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1Nc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1C
InChIInChI=1S/C25H21N5O/c1-17-10-6-8-14-21(17)27-25-28-23-20(16-26-30(23)19-12-4-3-5-13-19)24(31)29(25)22-15-9-7-11-18(22)2/h3-16H,1-2H3,(H,27,28)
InChIKeyNNAFHOYYXWIJTK-UHFFFAOYSA-N
XLogP4.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dimethylanilino)-5-(2,4-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10765336
6-(2,6-dimethylanilino)-5-(2,6-dimethylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 10574898
5-(2-chlorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 15207261
6-ethyl-5-naphthalen-1-yl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1204122
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1347889
5-(3-methylphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 4612081
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
5-(4-fluorophenyl)-6-(furan-2-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068284
6-(2-fluorophenyl)-5-(4-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 1068283
3-[6-methyl-1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide
CID 16882977

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 10549386) is 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1Nc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1C.
What is the InChIKey of 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NNAFHOYYXWIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O/c1-17-10-6-8-14-21(17)27-25-28-23-20(16-26-30(23)19-12-4-3-5-13-19)24(31)29(25)22-15-9-7-11-18(22)2/h3-16H,1-2H3,(H,27,28).
What are the key properties of 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 407.48 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylanilino)-5-(2-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 10549386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).