N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

C21H20N6O — CID 23400207

IUPACN,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(C)c(Nc2nc(C)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C21H20N6O/c1-13-9-10-15(21(28)22-3)11-18(13)26-19-17-12-23-27(16-7-5-4-6-8-16)20(17)25-14(2)24-19/h4-12H,1-3H3,(H,22,28)(H,24,25,26)
InChIKeyXDYZFMGLVBMIQI-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.54
Rot. Bonds4

About N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 23400207) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
PubChem CID23400207
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(C)c(Nc2nc(C)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C21H20N6O/c1-13-9-10-15(21(28)22-3)11-18(13)26-19-17-12-23-27(16-7-5-4-6-8-16)20(17)25-14(2)24-19/h4-12H,1-3H3,(H,22,28)(H,24,25,26)
InChIKeyXDYZFMGLVBMIQI-UHFFFAOYSA-N
XLogP3.54
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (CID 23400207) is N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is CNC(=O)c1ccc(C)c(Nc2nc(C)nc3c2cnn3-c2ccccc2)c1.
What is the InChIKey of N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is XDYZFMGLVBMIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-9-10-15(21(28)22-3)11-18(13)26-19-17-12-23-27(16-7-5-4-6-8-16)20(17)25-14(2)24-19/h4-12H,1-3H3,(H,22,28)(H,24,25,26).
What are the key properties of N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 23400207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).