2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide

C161H168N34O10S — CID 161169252

About 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide

2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide (PubChem CID 161169252) has the molecular formula C161H168N34O10S and a molecular weight of 2771.41 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide
• PubChem CID: 161169252
• Molecular Formula: C161H168N34O10S
• Molecular Weight: 2771.41 g/mol
• Exact Mass: 2769.34
• IUPAC Name: 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide
• SMILES: Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4cc[nH]c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4ccn(C)c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4cc[nH]c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4ccn(C)c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4ccsc4)nc4cc[nH]c34)c2)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/2C33H35N7O2.2C32H33N7O2.C31H32N6O2S/c1-22-5-8-27(42-33-30-29(11-14-39(30)4)36-31(37-33)24-9-12-34-13-10-24)20-28(22)32(41)35-26-7-6-25(23(2)19-26)21-40-17-15-38(3)16-18-40;1-22-7-10-27(42-33-30-29(11-13-39(30)4)36-31(37-33)24-6-5-12-34-20-24)19-28(22)32(41)35-26-9-8-25(23(2)18-26)21-40-16-14-38(3)15-17-40;1-21-4-7-26(41-32-29-28(10-13-34-29)36-30(37-32)23-8-11-33-12-9-23)19-27(21)31(40)35-25-6-5-24(22(2)18-25)20-39-16-14-38(3)15-17-39;1-21-6-9-26(41-32-29-28(10-12-34-29)36-30(37-32)23-5-4-11-33-19-23)18-27(21)31(40)35-25-8-7-24(22(2)17-25)20-39-15-13-38(3)14-16-39;1-20-4-5-22(30(38)33-25-7-6-23(21(2)16-25)18-37-13-11-36(3)12-14-37)17-27(20)39-31-28-26(8-10-32-28)34-29(35-31)24-9-15-40-19-24/h5-14,19-20H,15-18,21H2,1-4H3,(H,35,41);5-13,18-20H,14-17,21H2,1-4H3,(H,35,41);4-13,18-19,34H,14-17,20H2,1-3H3,(H,35,40);4-12,17-19,34H,13-16,20H2,1-3H3,(H,35,40);4-10,15-17,19,32H,11-14,18H2,1-3H3,(H,33,38)
• InChIKey: UQYPYELOSLPPLQ-UHFFFAOYSA-N
• XLogP: 27.83
• TPSA: 461.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2771.41
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide?

The IUPAC name of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide (CID 161169252) is 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide.

What is the SMILES notation for 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide?

The canonical SMILES for 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide is Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4cc[nH]c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4cccnc4)nc4ccn(C)c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4cc[nH]c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2cc(Oc3nc(-c4ccncc4)nc4ccn(C)c34)ccc2C)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4ccsc4)nc4cc[nH]c34)c2)ccc1CN1CCN(C)CC1.

What is the InChIKey of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide?

The InChIKey is UQYPYELOSLPPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H35N7O2.2C32H33N7O2.C31H32N6O2S/c1-22-5-8-27(42-33-30-29(11-14-39(30)4)36-31(37-33)24-9-12-34-13-10-24)20-28(22)32(41)35-26-7-6-25(23(2)19-26)21-40-17-15-38(3)16-18-40;1-22-7-10-27(42-33-30-29(11-13-39(30)4)36-31(37-33)24-6-5-12-34-20-24)19-28(22)32(41)35-26-9-8-25(23(2)18-26)21-40-16-14-38(3)15-17-40;1-21-4-7-26(41-32-29-28(10-13-34-29)36-30(37-32)23-8-11-33-12-9-23)19-27(21)31(40)35-25-6-5-24(22(2)18-25)20-39-16-14-38(3)15-17-39;1-21-6-9-26(41-32-29-28(10-12-34-29)36-30(37-32)23-5-4-11-33-19-23)18-27(21)31(40)35-25-8-7-24(22(2)17-25)20-39-15-13-38(3)14-16-39;1-20-4-5-22(30(38)33-25-7-6-23(21(2)16-25)18-37-13-11-36(3)12-14-37)17-27(20)39-31-28-26(8-10-32-28)34-29(35-31)24-9-15-40-19-24/h5-14,19-20H,15-18,21H2,1-4H3,(H,35,41);5-13,18-20H,14-17,21H2,1-4H3,(H,35,41);4-13,18-19,34H,14-17,20H2,1-3H3,(H,35,40);4-12,17-19,34H,13-16,20H2,1-3H3,(H,35,40);4-10,15-17,19,32H,11-14,18H2,1-3H3,(H,33,38).

What are the key properties of 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide?

2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide has a molecular weight of 2771.41 g/mol, XLogP of 27.83, 35 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(2-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]benzamide is sourced from PubChem (CID 161169252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).