1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C100H106Cl4N26O9 — CID 157323399

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 157323399) has the molecular formula C100H106Cl4N26O9 and a molecular weight of 1957.93 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
• PubChem CID: 157323399
• Molecular Formula: C100H106Cl4N26O9
• Molecular Weight: 1957.93 g/mol
• Exact Mass: 1954.74
• IUPAC Name: 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
• SMILES: CC(=O)N1CCN(CCn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)CC1.COc1c(C(=O)Nc2ccc(C)cc2)ncc2c1cnn2-c1ccccc1.COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2CCN1CCNCC1.Cc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3CCN3CCNCC3)c2=O)cc1.Cc1ccc(NC(=O)c2ncc3c(cnn3C)c2Cl)cc1
• InChI: InChI=1S/C22H24Cl2N6O2.C21H25ClN6O2.C21H26N6O2.C21H18N4O2.C15H13ClN4O/c1-14-19-20(24)18(22(32)26-17-5-3-16(23)4-6-17)13-25-21(19)30(27-14)12-9-28-7-10-29(11-8-28)15(2)31;1-14-18-19(30-2)17(21(29)25-16-5-3-15(22)4-6-16)13-24-20(18)28(26-14)12-11-27-9-7-23-8-10-27;1-14-3-5-16(6-4-14)24-21(29)17-13-23-20-18(19(17)28)15(2)25-27(20)12-11-26-9-7-22-8-10-26;1-14-8-10-15(11-9-14)24-21(26)19-20(27-2)17-12-23-25(18(17)13-22-19)16-6-4-3-5-7-16;1-9-3-5-10(6-4-9)19-15(21)14-13(16)11-7-18-20(2)12(11)8-17-14/h3-6,13H,7-12H2,1-2H3,(H,26,32);3-6,13,23H,7-12H2,1-2H3,(H,25,29);3-6,13,22H,7-12H2,1-2H3,(H,23,28)(H,24,29);3-13H,1-2H3,(H,24,26);3-8H,1-2H3,(H,19,21)
• InChIKey: BEKZBGVVDCGMKQ-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 391.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.93
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 157323399) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is CC(=O)N1CCN(CCn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)CC1.COc1c(C(=O)Nc2ccc(C)cc2)ncc2c1cnn2-c1ccccc1.COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2CCN1CCNCC1.Cc1ccc(NC(=O)c2c[nH]c3c(c(C)nn3CCN3CCNCC3)c2=O)cc1.Cc1ccc(NC(=O)c2ncc3c(cnn3C)c2Cl)cc1.

What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

The InChIKey is BEKZBGVVDCGMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6O2.C21H25ClN6O2.C21H26N6O2.C21H18N4O2.C15H13ClN4O/c1-14-19-20(24)18(22(32)26-17-5-3-16(23)4-6-17)13-25-21(19)30(27-14)12-9-28-7-10-29(11-8-28)15(2)31;1-14-18-19(30-2)17(21(29)25-16-5-3-15(22)4-6-16)13-24-20(18)28(26-14)12-11-27-9-7-23-8-10-27;1-14-3-5-16(6-4-14)24-21(29)17-13-23-20-18(19(17)28)15(2)25-27(20)12-11-26-9-7-22-8-10-26;1-14-8-10-15(11-9-14)24-21(26)19-20(27-2)17-12-23-25(18(17)13-22-19)16-6-4-3-5-7-16;1-9-3-5-10(6-4-9)19-15(21)14-13(16)11-7-18-20(2)12(11)8-17-14/h3-6,13H,7-12H2,1-2H3,(H,26,32);3-6,13,23H,7-12H2,1-2H3,(H,25,29);3-6,13,22H,7-12H2,1-2H3,(H,23,28)(H,24,29);3-13H,1-2H3,(H,24,26);3-8H,1-2H3,(H,19,21).

What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?

1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 1957.93 g/mol, XLogP of 14.69, 22 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-4-chloro-N-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-methyl-N-(4-methylphenyl)pyrazolo[3,4-c]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-methoxy-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-c]pyridine-5-carboxamide;3-methyl-N-(4-methylphenyl)-4-oxo-1-(2-piperazin-1-ylethyl)-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 157323399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).