4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide

C126H132N32O8 — CID 159083819

About 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide

4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 159083819) has the molecular formula C126H132N32O8 and a molecular weight of 2222.66 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide
• PubChem CID: 159083819
• Molecular Formula: C126H132N32O8
• Molecular Weight: 2222.66 g/mol
• Exact Mass: 2221.09
• IUPAC Name: 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide
• SMILES: Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4ccncc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/2C32H34N8O2.2C31H32N8O2/c1-21-5-6-24(31(41)35-26-8-7-25(22(2)17-26)20-40-15-13-38(3)14-16-40)18-28(21)42-32-27-19-34-39(4)30(27)36-29(37-32)23-9-11-33-12-10-23;1-21-7-8-23(31(41)35-26-10-9-25(22(2)16-26)20-40-14-12-38(3)13-15-40)17-28(21)42-32-27-19-34-39(4)30(27)36-29(37-32)24-6-5-11-33-18-24;1-21-16-25(10-9-24(21)20-39-14-12-37(2)13-15-39)34-30(40)22-6-4-8-26(17-22)41-31-27-19-33-38(3)29(27)35-28(36-31)23-7-5-11-32-18-23;1-21-17-25(8-7-24(21)20-39-15-13-37(2)14-16-39)34-30(40)23-5-4-6-26(18-23)41-31-27-19-33-38(3)29(27)35-28(36-31)22-9-11-32-12-10-22/h5-12,17-19H,13-16,20H2,1-4H3,(H,35,41);5-11,16-19H,12-15,20H2,1-4H3,(H,35,41);4-11,16-19H,12-15,20H2,1-3H3,(H,34,40);4-12,17-19H,13-16,20H2,1-3H3,(H,34,40)
• InChIKey: KBEPNUYHGHDCBF-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 405.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2222.66
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

The IUPAC name of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide (CID 159083819) is 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide.

What is the SMILES notation for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

The canonical SMILES for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide is Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4ccncc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4c3cnn4C)c2)ccc1CN1CCN(C)CC1.

What is the InChIKey of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

The InChIKey is KBEPNUYHGHDCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H34N8O2.2C31H32N8O2/c1-21-5-6-24(31(41)35-26-8-7-25(22(2)17-26)20-40-15-13-38(3)14-16-40)18-28(21)42-32-27-19-34-39(4)30(27)36-29(37-32)23-9-11-33-12-10-23;1-21-7-8-23(31(41)35-26-10-9-25(22(2)16-26)20-40-14-12-38(3)13-15-40)17-28(21)42-32-27-19-34-39(4)30(27)36-29(37-32)24-6-5-11-33-18-24;1-21-16-25(10-9-24(21)20-39-14-12-37(2)13-15-39)34-30(40)22-6-4-8-26(17-22)41-31-27-19-33-38(3)29(27)35-28(36-31)23-7-5-11-32-18-23;1-21-17-25(8-7-24(21)20-39-15-13-37(2)14-16-39)34-30(40)23-5-4-6-26(18-23)41-31-27-19-33-38(3)29(27)35-28(36-31)22-9-11-32-12-10-22/h5-12,17-19H,13-16,20H2,1-4H3,(H,35,41);5-11,16-19H,12-15,20H2,1-4H3,(H,35,41);4-11,16-19H,12-15,20H2,1-3H3,(H,34,40);4-12,17-19H,13-16,20H2,1-3H3,(H,34,40).

What are the key properties of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide has a molecular weight of 2222.66 g/mol, XLogP of 18.72, 28 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 159083819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).