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

C20H19N7O — CID 23400141

IUPAC3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2nc(N)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H19N7O/c1-12-8-9-13(19(28)22-2)10-16(12)24-17-15-11-23-27(14-6-4-3-5-7-14)18(15)26-20(21)25-17/h3-11H,1-2H3,(H,22,28)(H3,21,24,25,26)
InChIKeyFCRBCMOVJUGGHZ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.81
Rot. Bonds4

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

3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide (PubChem CID 23400141) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide
PubChem CID23400141
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2nc(N)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C20H19N7O/c1-12-8-9-13(19(28)22-2)10-16(12)24-17-15-11-23-27(14-6-4-3-5-7-14)18(15)26-20(21)25-17/h3-11H,1-2H3,(H,22,28)(H3,21,24,25,26)
InChIKeyFCRBCMOVJUGGHZ-UHFFFAOYSA-N
XLogP2.81
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Bms-582949
CID 10409068
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
4-Ethyl-N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-3-(pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
CID 71550931
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10134493
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5-Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1-F][1,2,4]triazine-6-Carboxamide
CID 10276213
Takeda103A
CID 11155477
B-Raf IN 1
CID 24884503
3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide
CID 24896610
2-((4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
CID 53245636

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide (CID 23400141) is 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(Nc2nc(N)nc3c2cnn3-c2ccccc2)c1.
What is the InChIKey of 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
The InChIKey is FCRBCMOVJUGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-12-8-9-13(19(28)22-2)10-16(12)24-17-15-11-23-27(14-6-4-3-5-7-14)18(15)26-20(21)25-17/h3-11H,1-2H3,(H,22,28)(H3,21,24,25,26).
What are the key properties of 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide has a molecular weight of 373.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 23400141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).