N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane

C134H142N38O6 — CID 158900073

About N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane

N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane (PubChem CID 158900073) has the molecular formula C134H142N38O6 and a molecular weight of 2380.87 g/mol. Its IUPAC name is N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane.

Molecular Properties

• Compound Name: N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane
• PubChem CID: 158900073
• Molecular Formula: C134H142N38O6
• Molecular Weight: 2380.87 g/mol
• Exact Mass: 2379.20
• IUPAC Name: N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane
• SMILES: C.C.Cc1ccc(C(=O)Nc2ccc(Cc3nn(C)c4ncnc(N)c34)cc2)cc1.Cc1cccc(C(=O)Nc2ccc(Cc3nn(C)c4ncnc(N)c34)cc2)c1.Cc1cccc(C(=O)Nc2cccc(Cc3nn(C(C)(C)C)c4ncnc(N)c34)c2)c1.Cc1cccc(C(=O)Nc2cccc(Cc3nn(C)c4ncnc(N)c34)c2)c1.Cc1cccc(NC(=O)Nc2cccc(Cc3nn(C(C)(C)C)c4ncnc(N)c34)c2)c1.Cc1cccc(NC(=O)Nc2cccc(Cc3nn(C)c4ncnc(N)c34)c2)c1
• InChI: InChI=1S/C24H27N7O.C24H26N6O.C21H21N7O.3C21H20N6O.2CH4/c1-15-7-5-9-17(11-15)28-23(32)29-18-10-6-8-16(12-18)13-19-20-21(25)26-14-27-22(20)31(30-19)24(2,3)4;1-15-7-5-9-17(11-15)23(31)28-18-10-6-8-16(12-18)13-19-20-21(25)26-14-27-22(20)30(29-19)24(2,3)4;1-13-5-3-7-15(9-13)25-21(29)26-16-8-4-6-14(10-16)11-17-18-19(22)23-12-24-20(18)28(2)27-17;1-13-3-7-15(8-4-13)21(28)25-16-9-5-14(6-10-16)11-17-18-19(22)23-12-24-20(18)27(2)26-17;1-13-5-3-7-15(9-13)21(28)25-16-8-4-6-14(10-16)11-17-18-19(22)23-12-24-20(18)27(2)26-17;1-13-4-3-5-15(10-13)21(28)25-16-8-6-14(7-9-16)11-17-18-19(22)23-12-24-20(18)27(2)26-17;;/h5-12,14H,13H2,1-4H3,(H2,25,26,27)(H2,28,29,32);5-12,14H,13H2,1-4H3,(H,28,31)(H2,25,26,27);3-10,12H,11H2,1-2H3,(H2,22,23,24)(H2,25,26,29);3*3-10,12H,11H2,1-2H3,(H,25,28)(H2,22,23,24);2*1H4
• InChIKey: JFIAGTWLXONXDY-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 616.38 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.87
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane?

The IUPAC name of N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane (CID 158900073) is N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane.

What is the SMILES notation for N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane?

The canonical SMILES for N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane is C.C.Cc1ccc(C(=O)Nc2ccc(Cc3nn(C)c4ncnc(N)c34)cc2)cc1.Cc1cccc(C(=O)Nc2ccc(Cc3nn(C)c4ncnc(N)c34)cc2)c1.Cc1cccc(C(=O)Nc2cccc(Cc3nn(C(C)(C)C)c4ncnc(N)c34)c2)c1.Cc1cccc(C(=O)Nc2cccc(Cc3nn(C)c4ncnc(N)c34)c2)c1.Cc1cccc(NC(=O)Nc2cccc(Cc3nn(C(C)(C)C)c4ncnc(N)c34)c2)c1.Cc1cccc(NC(=O)Nc2cccc(Cc3nn(C)c4ncnc(N)c34)c2)c1.

What is the InChIKey of N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane?

The InChIKey is JFIAGTWLXONXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O.C24H26N6O.C21H21N7O.3C21H20N6O.2CH4/c1-15-7-5-9-17(11-15)28-23(32)29-18-10-6-8-16(12-18)13-19-20-21(25)26-14-27-22(20)31(30-19)24(2,3)4;1-15-7-5-9-17(11-15)23(31)28-18-10-6-8-16(12-18)13-19-20-21(25)26-14-27-22(20)30(29-19)24(2,3)4;1-13-5-3-7-15(9-13)25-21(29)26-16-8-4-6-14(10-16)11-17-18-19(22)23-12-24-20(18)28(2)27-17;1-13-3-7-15(8-4-13)21(28)25-16-9-5-14(6-10-16)11-17-18-19(22)23-12-24-20(18)27(2)26-17;1-13-5-3-7-15(9-13)21(28)25-16-8-4-6-14(10-16)11-17-18-19(22)23-12-24-20(18)27(2)26-17;1-13-4-3-5-15(10-13)21(28)25-16-8-6-14(7-9-16)11-17-18-19(22)23-12-24-20(18)27(2)26-17;;/h5-12,14H,13H2,1-4H3,(H2,25,26,27)(H2,28,29,32);5-12,14H,13H2,1-4H3,(H,28,31)(H2,25,26,27);3-10,12H,11H2,1-2H3,(H2,22,23,24)(H2,25,26,29);3*3-10,12H,11H2,1-2H3,(H,25,28)(H2,22,23,24);2*1H4.

What are the key properties of N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane?

N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane has a molecular weight of 2380.87 g/mol, XLogP of 23.07, 24 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;1-[3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;N-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-methylbenzamide;N-[4-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-4-methylbenzamide;1-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea;methane is sourced from PubChem (CID 158900073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).