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

C125H120Cl2N24O8S4 — CID 158849323

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

2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 158849323) has the molecular formula C125H120Cl2N24O8S4 and a molecular weight of 2285.67 g/mol. Its IUPAC name is 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide
• PubChem CID: 158849323
• Molecular Formula: C125H120Cl2N24O8S4
• Molecular Weight: 2285.67 g/mol
• Exact Mass: 2282.80
• IUPAC Name: 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide
• SMILES: Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4ccsc34)c2)c1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4ccsc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4ccsc34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4ccsc34)ccc2Cl)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C32H32N6O2S.2C31H29ClN6O2S.C31H30N6O2S/c1-21-6-9-26(40-32-29-28(10-16-41-29)35-30(36-32)23-5-4-11-33-19-23)18-27(21)31(39)34-25-8-7-24(22(2)17-25)20-38-14-12-37(3)13-15-38;1-20-17-23(4-3-22(20)19-38-14-12-37(2)13-15-38)34-30(39)25-18-24(5-6-26(25)32)40-31-28-27(9-16-41-28)35-29(36-31)21-7-10-33-11-8-21;1-20-16-23(6-5-22(20)19-38-13-11-37(2)12-14-38)34-30(39)25-17-24(7-8-26(25)32)40-31-28-27(9-15-41-28)35-29(36-31)21-4-3-10-33-18-21;1-21-16-22(20-37-13-11-36(2)12-14-37)18-25(17-21)33-30(38)24-4-3-5-26(19-24)39-31-28-27(8-15-40-28)34-29(35-31)23-6-9-32-10-7-23/h4-11,16-19H,12-15,20H2,1-3H3,(H,34,39);3-11,16-18H,12-15,19H2,1-2H3,(H,34,39);3-10,15-18H,11-14,19H2,1-2H3,(H,34,39);3-10,15-19H,11-14,20H2,1-2H3,(H,33,38)
• InChIKey: IZFZSSQIRZXCKX-UHFFFAOYSA-N
• XLogP: 25.03
• TPSA: 333.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.67
LogP ≤ 5	25.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide (CID 158849323) is 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide.

What is the SMILES notation for 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide?

The canonical SMILES for 2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide is Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cccc(Oc3nc(-c4ccncc4)nc4ccsc34)c2)c1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4ccsc34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4ccsc34)ccc2Cl)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4ccsc34)ccc2Cl)ccc1CN1CCN(C)CC1.

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

The InChIKey is IZFZSSQIRZXCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2S.2C31H29ClN6O2S.C31H30N6O2S/c1-21-6-9-26(40-32-29-28(10-16-41-29)35-30(36-32)23-5-4-11-33-19-23)18-27(21)31(39)34-25-8-7-24(22(2)17-25)20-38-14-12-37(3)13-15-38;1-20-17-23(4-3-22(20)19-38-14-12-37(2)13-15-38)34-30(39)25-18-24(5-6-26(25)32)40-31-28-27(9-16-41-28)35-29(36-31)21-7-10-33-11-8-21;1-20-16-23(6-5-22(20)19-38-13-11-37(2)12-14-38)34-30(39)25-17-24(7-8-26(25)32)40-31-28-27(9-15-41-28)35-29(36-31)21-4-3-10-33-18-21;1-21-16-22(20-37-13-11-36(2)12-14-37)18-25(17-21)33-30(38)24-4-3-5-26(19-24)39-31-28-27(8-15-40-28)34-29(35-31)23-6-9-32-10-7-23/h4-11,16-19H,12-15,20H2,1-3H3,(H,34,39);3-11,16-18H,12-15,19H2,1-2H3,(H,34,39);3-10,15-18H,11-14,19H2,1-2H3,(H,34,39);3-10,15-19H,11-14,20H2,1-2H3,(H,33,38).

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

2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide has a molecular weight of 2285.67 g/mol, XLogP of 25.03, 28 rotatable bonds, 4 hydrogen bond donors, and 32 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-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 158849323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).