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

C25H20N6O2 — CID 171355132

IUPACN-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ncnc4c3cnn4-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H20N6O2/c1-33-21-13-11-19(12-14-21)30-25(32)17-7-9-18(10-8-17)29-23-22-15-28-31(24(22)27-16-26-23)20-5-3-2-4-6-20/h2-16H,1H3,(H,30,32)(H,26,27,29)
InChIKeyAMYACCIEFVTVDM-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.82
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 171355132) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
PubChem CID171355132
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC NameN-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ncnc4c3cnn4-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H20N6O2/c1-33-21-13-11-19(12-14-21)30-25(32)17-7-9-18(10-8-17)29-23-22-15-28-31(24(22)27-16-26-23)20-5-3-2-4-6-20/h2-16H,1H3,(H,30,32)(H,26,27,29)
InChIKeyAMYACCIEFVTVDM-UHFFFAOYSA-N
XLogP4.82
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (CID 171355132) is N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is COc1ccc(NC(=O)c2ccc(Nc3ncnc4c3cnn4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is AMYACCIEFVTVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-33-21-13-11-19(12-14-21)30-25(32)17-7-9-18(10-8-17)29-23-22-15-28-31(24(22)27-16-26-23)20-5-3-2-4-6-20/h2-16H,1H3,(H,30,32)(H,26,27,29).
What are the key properties of N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide?
N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 436.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 171355132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).