2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone

C164H163N25O10S4 — CID 159314759

About 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone

2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone (PubChem CID 159314759) has the molecular formula C164H163N25O10S4 and a molecular weight of 2772.54 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone.

Molecular Properties

• Compound Name: 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone
• PubChem CID: 159314759
• Molecular Formula: C164H163N25O10S4
• Molecular Weight: 2772.54 g/mol
• Exact Mass: 2770.19
• IUPAC Name: 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone
• SMILES: Cc1cc(C(=O)Cc2ccc(C)c(Oc3nc(-c4cccnc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2ccc(C)c(Oc3nc(-c4ccncc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cccc(Oc3nc(-c4cccnc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cccc(Oc3nc(-c4ccncc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cc(Oc3cc(-c4ccncc4)nc4c3C=CC4)ccc2C)c1
• InChI: InChI=1S/C34H35N5O2.2C33H33N5O2S.2C32H31N5O2S/c1-23-17-25(22-39-15-13-38(3)14-16-39)19-27(18-23)36-34(40)30-20-28(8-7-24(30)2)41-33-21-32(26-9-11-35-12-10-26)37-31-6-4-5-29(31)33;1-22-4-5-24(19-29(39)26-6-7-27(23(2)18-26)21-38-15-13-37(3)14-16-38)20-30(22)40-33-31-28(10-17-41-31)35-32(36-33)25-8-11-34-12-9-25;1-22-6-7-24(18-29(39)25-8-9-27(23(2)17-25)21-38-14-12-37(3)13-15-38)19-30(22)40-33-31-28(10-16-41-31)35-32(36-33)26-5-4-11-34-20-26;1-22-17-24(8-9-26(22)21-37-14-12-36(2)13-15-37)29(38)19-23-5-3-7-27(18-23)39-32-30-28(10-16-40-30)34-31(35-32)25-6-4-11-33-20-25;1-22-18-25(6-7-26(22)21-37-15-13-36(2)14-16-37)29(38)20-23-4-3-5-27(19-23)39-32-30-28(10-17-40-30)34-31(35-32)24-8-11-33-12-9-24/h4-5,7-12,17-21H,6,13-16,22H2,1-3H3,(H,36,40);4-12,17-18,20H,13-16,19,21H2,1-3H3;4-11,16-17,19-20H,12-15,18,21H2,1-3H3;3-11,16-18,20H,12-15,19,21H2,1-2H3;3-12,17-19H,13-16,20-21H2,1-2H3
• InChIKey: LCZNDGYOLUEOMQ-UHFFFAOYSA-N
• XLogP: 30.85
• TPSA: 356.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 39
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2772.54
LogP ≤ 5	30.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone?

The IUPAC name of 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone (CID 159314759) is 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone.

What is the SMILES notation for 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone?

The canonical SMILES for 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone is Cc1cc(C(=O)Cc2ccc(C)c(Oc3nc(-c4cccnc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2ccc(C)c(Oc3nc(-c4ccncc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cccc(Oc3nc(-c4cccnc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(C(=O)Cc2cccc(Oc3nc(-c4ccncc4)nc4ccsc34)c2)ccc1CN1CCN(C)CC1.Cc1cc(CN2CCN(C)CC2)cc(NC(=O)c2cc(Oc3cc(-c4ccncc4)nc4c3C=CC4)ccc2C)c1.

What is the InChIKey of 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone?

The InChIKey is LCZNDGYOLUEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O2.2C33H33N5O2S.2C32H31N5O2S/c1-23-17-25(22-39-15-13-38(3)14-16-39)19-27(18-23)36-34(40)30-20-28(8-7-24(30)2)41-33-21-32(26-9-11-35-12-10-26)37-31-6-4-5-29(31)33;1-22-4-5-24(19-29(39)26-6-7-27(23(2)18-26)21-38-15-13-37(3)14-16-38)20-30(22)40-33-31-28(10-17-41-31)35-32(36-33)25-8-11-34-12-9-25;1-22-6-7-24(18-29(39)25-8-9-27(23(2)17-25)21-38-14-12-37(3)13-15-38)19-30(22)40-33-31-28(10-16-41-31)35-32(36-33)26-5-4-11-34-20-26;1-22-17-24(8-9-26(22)21-37-14-12-36(2)13-15-37)29(38)19-23-5-3-7-27(18-23)39-32-30-28(10-16-40-30)34-31(35-32)25-6-4-11-33-20-25;1-22-18-25(6-7-26(22)21-37-15-13-36(2)14-16-37)29(38)20-23-4-3-5-27(19-23)39-32-30-28(10-17-40-30)34-31(35-32)24-8-11-33-12-9-24/h4-5,7-12,17-21H,6,13-16,22H2,1-3H3,(H,36,40);4-12,17-18,20H,13-16,19,21H2,1-3H3;4-11,16-17,19-20H,12-15,18,21H2,1-3H3;3-11,16-18,20H,12-15,19,21H2,1-2H3;3-12,17-19H,13-16,20-21H2,1-2H3.

What are the key properties of 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone?

2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone has a molecular weight of 2772.54 g/mol, XLogP of 30.85, 39 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]ethanone is sourced from PubChem (CID 159314759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).