N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide

C104H111FN22O5 — CID 91528020

About N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide

N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide (PubChem CID 91528020) has the molecular formula C104H111FN22O5 and a molecular weight of 1768.18 g/mol. Its IUPAC name is N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

• Compound Name: N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide
• PubChem CID: 91528020
• Molecular Formula: C104H111FN22O5
• Molecular Weight: 1768.18 g/mol
• Exact Mass: 1766.91
• IUPAC Name: N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide
• SMILES: CC(C)(C(=O)Nc1ccc(-c2ccnc3c2c(N)nn3CCN2CCCC2)cc1)c1ccccc1.COc1cccc(CC(=O)Nc2ccc(-c3cc(C)nc4c3c(N)nn4C)cc2)c1.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5ccccc5)CC4)cc3)cc(C(C)(C)CN3CCCCC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)Cc4cccc(F)c4)cc3)ccnc21
• InChI: InChI=1S/C32H38N6O.C28H32N6O.C23H23N5O2.C21H18FN5O/c1-31(2,21-38-18-8-5-9-19-38)26-20-25(27-28(33)36-37(3)29(27)35-26)22-12-14-24(15-13-22)34-30(39)32(16-17-32)23-10-6-4-7-11-23;1-28(2,21-8-4-3-5-9-21)27(35)31-22-12-10-20(11-13-22)23-14-15-30-26-24(23)25(29)32-34(26)19-18-33-16-6-7-17-33;1-14-11-19(21-22(24)27-28(2)23(21)25-14)16-7-9-17(10-8-16)26-20(29)13-15-5-4-6-18(12-15)30-3;1-27-21-19(20(23)26-27)17(9-10-24-21)14-5-7-16(8-6-14)25-18(28)12-13-3-2-4-15(22)11-13/h4,6-7,10-15,20H,5,8-9,16-19,21H2,1-3H3,(H2,33,36)(H,34,39);3-5,8-15H,6-7,16-19H2,1-2H3,(H2,29,32)(H,31,35);4-12H,13H2,1-3H3,(H2,24,27)(H,26,29);2-11H,12H2,1H3,(H2,23,26)(H,25,28)
• InChIKey: SYYFIWWYCCNTKL-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 359.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1768.18
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

The IUPAC name of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide (CID 91528020) is N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide.

What is the SMILES notation for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

The canonical SMILES for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1ccc(-c2ccnc3c2c(N)nn3CCN2CCCC2)cc1)c1ccccc1.COc1cccc(CC(=O)Nc2ccc(-c3cc(C)nc4c3c(N)nn4C)cc2)c1.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5ccccc5)CC4)cc3)cc(C(C)(C)CN3CCCCC3)nc21.Cn1nc(N)c2c(-c3ccc(NC(=O)Cc4cccc(F)c4)cc3)ccnc21.

What is the InChIKey of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

The InChIKey is SYYFIWWYCCNTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O.C28H32N6O.C23H23N5O2.C21H18FN5O/c1-31(2,21-38-18-8-5-9-19-38)26-20-25(27-28(33)36-37(3)29(27)35-26)22-12-14-24(15-13-22)34-30(39)32(16-17-32)23-10-6-4-7-11-23;1-28(2,21-8-4-3-5-9-21)27(35)31-22-12-10-20(11-13-22)23-14-15-30-26-24(23)25(29)32-34(26)19-18-33-16-6-7-17-33;1-14-11-19(21-22(24)27-28(2)23(21)25-14)16-7-9-17(10-8-16)26-20(29)13-15-5-4-6-18(12-15)30-3;1-27-21-19(20(23)26-27)17(9-10-24-21)14-5-7-16(8-6-14)25-18(28)12-13-3-2-4-15(22)11-13/h4,6-7,10-15,20H,5,8-9,16-19,21H2,1-3H3,(H2,33,36)(H,34,39);3-5,8-15H,6-7,16-19H2,1-2H3,(H2,29,32)(H,31,35);4-12H,13H2,1-3H3,(H2,24,27)(H,26,29);2-11H,12H2,1H3,(H2,23,26)(H,25,28).

What are the key properties of N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide has a molecular weight of 1768.18 g/mol, XLogP of 17.60, 23 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-amino-1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-methoxyphenyl)acetamide;N-[4-[3-amino-1-methyl-6-(2-methyl-1-piperidin-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-(3-amino-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-(3-fluorophenyl)acetamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 91528020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).