4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone

C125H125N23O4 — CID 159612224

About 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone

4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone (PubChem CID 159612224) has the molecular formula C125H125N23O4 and a molecular weight of 2013.53 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone.

Molecular Properties

• Compound Name: 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone
• PubChem CID: 159612224
• Molecular Formula: C125H125N23O4
• Molecular Weight: 2013.53 g/mol
• Exact Mass: 2012.03
• IUPAC Name: 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone
• SMILES: Cc1cc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)ccc1CN1CCN(C)CC1.Cc1cccc(NC(=O)c2cc(Nc3cc(-c4cccnc4)nc4c3ccn4C)ccc2C)c1.Cc1cccc(NC(=O)c2cc(Nc3cc(-c4ccncc4)nc4c3ccn4C)ccc2C)c1
• InChI: InChI=1S/C35H38N6O.C34H37N7O.2C28H25N5O/c1-24-5-6-26(21-34(42)28-7-8-29(25(2)19-28)23-41-17-15-39(3)16-18-41)20-31(24)37-33-22-32(27-9-12-36-13-10-27)38-35-30(33)11-14-40(35)4;1-23-5-6-26(34(42)36-28-8-7-27(24(2)19-28)22-41-17-15-39(3)16-18-41)20-30(23)37-32-21-31(25-9-12-35-13-10-25)38-33-29(32)11-14-40(33)4;1-18-6-4-8-21(14-18)31-28(34)24-15-22(10-9-19(24)2)30-26-16-25(20-7-5-12-29-17-20)32-27-23(26)11-13-33(27)3;1-18-5-4-6-21(15-18)31-28(34)24-16-22(8-7-19(24)2)30-26-17-25(20-9-12-29-13-10-20)32-27-23(26)11-14-33(27)3/h5-14,19-20,22H,15-18,21,23H2,1-4H3,(H,37,38);5-14,19-21H,15-18,22H2,1-4H3,(H,36,42)(H,37,38);2*4-17H,1-3H3,(H,30,32)(H,31,34)
• InChIKey: MMVNRKZCXIUHKI-UHFFFAOYSA-N
• XLogP: 24.66
• TPSA: 288.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.53
LogP ≤ 5	24.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

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-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone?

The IUPAC name of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone (CID 159612224) is 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone.

What is the SMILES notation for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone?

The canonical SMILES for 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone is Cc1cc(C(=O)Cc2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccncc4)nc4c3ccn4C)c2)ccc1CN1CCN(C)CC1.Cc1cccc(NC(=O)c2cc(Nc3cc(-c4cccnc4)nc4c3ccn4C)ccc2C)c1.Cc1cccc(NC(=O)c2cc(Nc3cc(-c4ccncc4)nc4c3ccn4C)ccc2C)c1.

What is the InChIKey of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone?

The InChIKey is MMVNRKZCXIUHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O.C34H37N7O.2C28H25N5O/c1-24-5-6-26(21-34(42)28-7-8-29(25(2)19-28)23-41-17-15-39(3)16-18-41)20-31(24)37-33-22-32(27-9-12-36-13-10-27)38-35-30(33)11-14-40(35)4;1-23-5-6-26(34(42)36-28-8-7-27(24(2)19-28)22-41-17-15-39(3)16-18-41)20-30(23)37-32-21-31(25-9-12-35-13-10-25)38-33-29(32)11-14-40(33)4;1-18-6-4-8-21(14-18)31-28(34)24-15-22(10-9-19(24)2)30-26-16-25(20-7-5-12-29-17-20)32-27-23(26)11-13-33(27)3;1-18-5-4-6-21(15-18)31-28(34)24-16-22(8-7-19(24)2)30-26-17-25(20-9-12-29-13-10-20)32-27-23(26)11-14-33(27)3/h5-14,19-20,22H,15-18,21,23H2,1-4H3,(H,37,38);5-14,19-21H,15-18,22H2,1-4H3,(H,36,42)(H,37,38);2*4-17H,1-3H3,(H,30,32)(H,31,34).

What are the key properties of 4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone?

4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone has a molecular weight of 2013.53 g/mol, XLogP of 24.66, 25 rotatable bonds, 7 hydrogen bond donors, and 24 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-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;2-methyl-N-(3-methylphenyl)-5-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]benzamide;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 159612224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).