4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride

C116H119Cl3N19O16P — CID 159926189

About 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride

4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride (PubChem CID 159926189) has the molecular formula C116H119Cl3N19O16P and a molecular weight of 2172.68 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride.

Molecular Properties

• Compound Name: 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride
• PubChem CID: 159926189
• Molecular Formula: C116H119Cl3N19O16P
• Molecular Weight: 2172.68 g/mol
• Exact Mass: 2169.79
• IUPAC Name: 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride
• SMILES: COC(=O)c1ccc(Oc2ccnc3c2c(NC2CCCCC2)nn3Cc2ccc(OC)cc2)cc1.COC(=O)c1ccc(Oc2ccnc3c2cnn3Cc2ccc(OC)cc2)cc1.COc1ccc(Cn2nc(NC3CCCCC3)c3c(Oc4ccc(C(=O)O)cc4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCCNC3)c3c(Oc4ccc(C(=O)Nc5cc(C)ccn5)cc4)ccnc32)cc1.Cc1ccnc(C)c1.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C32H33N7O3.C28H30N4O4.C27H28N4O4.C22H19N3O4.C7H9N.Cl3OP/c1-21-13-16-34-28(18-21)37-32(40)23-7-11-26(12-8-23)42-27-14-17-35-31-29(27)30(36-24-4-3-15-33-19-24)38-39(31)20-22-5-9-25(41-2)10-6-22;1-34-22-12-8-19(9-13-22)18-32-27-25(26(31-32)30-21-6-4-3-5-7-21)24(16-17-29-27)36-23-14-10-20(11-15-23)28(33)35-2;1-34-21-11-7-18(8-12-21)17-31-26-24(25(30-31)29-20-5-3-2-4-6-20)23(15-16-28-26)35-22-13-9-19(10-14-22)27(32)33;1-27-17-7-3-15(4-8-17)14-25-21-19(13-24-25)20(11-12-23-21)29-18-9-5-16(6-10-18)22(26)28-2;1-6-3-4-8-7(2)5-6;1-5(2,3)4/h5-14,16-18,24,33H,3-4,15,19-20H2,1-2H3,(H,36,38)(H,34,37,40);8-17,21H,3-7,18H2,1-2H3,(H,30,31);7-16,20H,2-6,17H2,1H3,(H,29,30)(H,32,33);3-13H,14H2,1-2H3;3-5H,1-2H3;/t24-;;;;;/m1...../s1
• InChIKey: NZASFOAUOXXATH-VQGHGNOBSA-N
• XLogP: 25.51
• TPSA: 406.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2172.68
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride?

The IUPAC name of 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride (CID 159926189) is 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride.

What is the SMILES notation for 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride?

The canonical SMILES for 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride is COC(=O)c1ccc(Oc2ccnc3c2c(NC2CCCCC2)nn3Cc2ccc(OC)cc2)cc1.COC(=O)c1ccc(Oc2ccnc3c2cnn3Cc2ccc(OC)cc2)cc1.COc1ccc(Cn2nc(NC3CCCCC3)c3c(Oc4ccc(C(=O)O)cc4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCCNC3)c3c(Oc4ccc(C(=O)Nc5cc(C)ccn5)cc4)ccnc32)cc1.Cc1ccnc(C)c1.O=P(Cl)(Cl)Cl.

What is the InChIKey of 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride?

The InChIKey is NZASFOAUOXXATH-VQGHGNOBSA-N. The full InChI is InChI=1S/C32H33N7O3.C28H30N4O4.C27H28N4O4.C22H19N3O4.C7H9N.Cl3OP/c1-21-13-16-34-28(18-21)37-32(40)23-7-11-26(12-8-23)42-27-14-17-35-31-29(27)30(36-24-4-3-15-33-19-24)38-39(31)20-22-5-9-25(41-2)10-6-22;1-34-22-12-8-19(9-13-22)18-32-27-25(26(31-32)30-21-6-4-3-5-7-21)24(16-17-29-27)36-23-14-10-20(11-15-23)28(33)35-2;1-34-21-11-7-18(8-12-21)17-31-26-24(25(30-31)29-20-5-3-2-4-6-20)23(15-16-28-26)35-22-13-9-19(10-14-22)27(32)33;1-27-17-7-3-15(4-8-17)14-25-21-19(13-24-25)20(11-12-23-21)29-18-9-5-16(6-10-18)22(26)28-2;1-6-3-4-8-7(2)5-6;1-5(2,3)4/h5-14,16-18,24,33H,3-4,15,19-20H2,1-2H3,(H,36,38)(H,34,37,40);8-17,21H,3-7,18H2,1-2H3,(H,30,31);7-16,20H,2-6,17H2,1H3,(H,29,30)(H,32,33);3-13H,14H2,1-2H3;3-5H,1-2H3;/t24-;;;;;/m1...../s1.

What are the key properties of 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride?

4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride has a molecular weight of 2172.68 g/mol, XLogP of 25.51, 31 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoic acid;2,4-dimethylpyridine;4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-piperidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]oxy-N-(4-methyl-2-pyridinyl)benzamide;methyl 4-[3-(cyclohexylamino)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;methyl 4-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxybenzoate;phosphoryl trichloride is sourced from PubChem (CID 159926189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).