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

C21H20N6O2 — CID 23400156

IUPAC3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2nc(OC)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C21H20N6O2/c1-13-9-10-14(20(28)22-2)11-17(13)24-18-16-12-23-27(15-7-5-4-6-8-15)19(16)26-21(25-18)29-3/h4-12H,1-3H3,(H,22,28)(H,24,25,26)
InChIKeyRZWDHVYVZGPWEX-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.24
Rot. Bonds5

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

3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide (PubChem CID 23400156) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide
PubChem CID23400156
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(Nc2nc(OC)nc3c2cnn3-c2ccccc2)c1
InChIInChI=1S/C21H20N6O2/c1-13-9-10-14(20(28)22-2)11-17(13)24-18-16-12-23-27(15-7-5-4-6-8-15)19(16)26-21(25-18)29-3/h4-12H,1-3H3,(H,22,28)(H,24,25,26)
InChIKeyRZWDHVYVZGPWEX-UHFFFAOYSA-N
XLogP3.24
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
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
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
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
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide (CID 23400156) is 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(Nc2nc(OC)nc3c2cnn3-c2ccccc2)c1.
What is the InChIKey of 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
The InChIKey is RZWDHVYVZGPWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-9-10-14(20(28)22-2)11-17(13)24-18-16-12-23-27(15-7-5-4-6-8-15)19(16)26-21(25-18)29-3/h4-12H,1-3H3,(H,22,28)(H,24,25,26).
What are the key properties of 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide?
3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide has a molecular weight of 388.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 23400156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).