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

C125H129ClN32O8 — CID 162248909

About 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide

2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 162248909) has the molecular formula C125H129ClN32O8 and a molecular weight of 2243.08 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide
• PubChem CID: 162248909
• Molecular Formula: C125H129ClN32O8
• Molecular Weight: 2243.08 g/mol
• Exact Mass: 2241.04
• IUPAC Name: 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide
• SMILES: Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1.Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1.Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4c3cnn4C)c2)c1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4c3cnn4C)ccc2Cl)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C32H34N8O2.C31H31ClN8O2.2C31H32N8O2/c1-21-14-23(20-40-12-10-38(3)11-13-40)16-26(15-21)35-31(41)24-8-7-22(2)28(17-24)42-32-27-19-34-39(4)30(27)36-29(37-32)25-6-5-9-33-18-25;1-20-16-23(5-4-22(20)19-40-14-12-38(2)13-15-40)35-30(41)25-17-24(6-7-27(25)32)42-31-26-18-34-39(3)29(26)36-28(37-31)21-8-10-33-11-9-21;1-21-14-22(20-39-12-10-37(2)11-13-39)16-25(15-21)34-30(40)23-6-4-8-26(17-23)41-31-27-19-33-38(3)29(27)35-28(36-31)24-7-5-9-32-18-24;1-21-15-22(20-39-13-11-37(2)12-14-39)17-25(16-21)34-30(40)24-5-4-6-26(18-24)41-31-27-19-33-38(3)29(27)35-28(36-31)23-7-9-32-10-8-23/h5-9,14-19H,10-13,20H2,1-4H3,(H,35,41);4-11,16-18H,12-15,19H2,1-3H3,(H,35,41);4-9,14-19H,10-13,20H2,1-3H3,(H,34,40);4-10,15-19H,11-14,20H2,1-3H3,(H,34,40)
• InChIKey: ZXSIACZQWGNDRV-UHFFFAOYSA-N
• XLogP: 19.06
• 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	2243.08
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

The IUPAC name of 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide (CID 162248909) is 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(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 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

The canonical SMILES for 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide is Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1.Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(Oc3nc(-c4cccnc4)nc4c3cnn4C)c2)c1.Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4c3cnn4C)c2)c1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4c3cnn4C)ccc2Cl)ccc1CN1CCN(C)CC1.

What is the InChIKey of 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

The InChIKey is ZXSIACZQWGNDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O2.C31H31ClN8O2.2C31H32N8O2/c1-21-14-23(20-40-12-10-38(3)11-13-40)16-26(15-21)35-31(41)24-8-7-22(2)28(17-24)42-32-27-19-34-39(4)30(27)36-29(37-32)25-6-5-9-33-18-25;1-20-16-23(5-4-22(20)19-40-14-12-38(2)13-15-40)35-30(41)25-17-24(6-7-27(25)32)42-31-26-18-34-39(3)29(26)36-28(37-31)21-8-10-33-11-9-21;1-21-14-22(20-39-12-10-37(2)11-13-39)16-25(15-21)34-30(40)23-6-4-8-26(17-23)41-31-27-19-33-38(3)29(27)35-28(36-31)24-7-5-9-32-18-24;1-21-15-22(20-39-13-11-37(2)12-14-39)17-25(16-21)34-30(40)24-5-4-6-26(18-24)41-31-27-19-33-38(3)29(27)35-28(36-31)23-7-9-32-10-8-23/h5-9,14-19H,10-13,20H2,1-4H3,(H,35,41);4-11,16-18H,12-15,19H2,1-3H3,(H,35,41);4-9,14-19H,10-13,20H2,1-3H3,(H,34,40);4-10,15-19H,11-14,20H2,1-3H3,(H,34,40).

What are the key properties of 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide?

2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(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 2243.08 g/mol, XLogP of 19.06, 28 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(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 162248909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).