3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide

C113H124Cl10N24O11 — CID 159867186

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide

3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 159867186) has the molecular formula C113H124Cl10N24O11 and a molecular weight of 2348.92 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 159867186
• Molecular Formula: C113H124Cl10N24O11
• Molecular Weight: 2348.92 g/mol
• Exact Mass: 2342.68
• IUPAC Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide
• SMILES: CCN1CCN(C(=O)CN2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)CC1.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N(C)C1CCN(C)CC1)C2=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCN(C)CC1)C2=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCOCC1)C2=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)NCc1cccnc1)C2=O
• InChI: InChI=1S/C24H29Cl2N5O2.C23H21Cl2N5O2.C23H27Cl2N5O2.C22H25Cl2N5O2.C21H22Cl2N4O3/c1-14-18(11-27)22(17-5-4-15(25)10-20(17)26)19-12-31(24(33)23(19)28-14)13-21(32)30(3)16-6-8-29(2)9-7-16;1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14;1-3-28-6-8-29(9-7-28)20(31)13-30-12-18-21(16-5-4-15(24)10-19(16)25)17(11-26)14(2)27-22(18)23(30)32;1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-29(22(31)21(17)26-13)12-19(30)28-7-5-27(2)6-8-28;1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h4-5,10,16H,6-9,11-13,27H2,1-3H3;2-7,9H,8,10-12,26H2,1H3,(H,28,31);4-5,10H,3,6-9,11-13,26H2,1-2H3;3-4,9H,5-8,10-12,25H2,1-2H3;2-3,8H,4-7,9-11,24H2,1H3
• InChIKey: NRWNEOZXYOXUST-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 438.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2348.92
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 159867186) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide is CCN1CCN(C(=O)CN2Cc3c(nc(C)c(CN)c3-c3ccc(Cl)cc3Cl)C2=O)CC1.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N(C)C1CCN(C)CC1)C2=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCN(C)CC1)C2=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)N1CCOCC1)C2=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)CN(CC(=O)NCc1cccnc1)C2=O.

What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is NRWNEOZXYOXUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O2.C23H21Cl2N5O2.C23H27Cl2N5O2.C22H25Cl2N5O2.C21H22Cl2N4O3/c1-14-18(11-27)22(17-5-4-15(25)10-20(17)26)19-12-31(24(33)23(19)28-14)13-21(32)30(3)16-6-8-29(2)9-7-16;1-13-17(8-26)21(16-5-4-15(24)7-19(16)25)18-11-30(23(32)22(18)29-13)12-20(31)28-10-14-3-2-6-27-9-14;1-3-28-6-8-29(9-7-28)20(31)13-30-12-18-21(16-5-4-15(24)10-19(16)25)17(11-26)14(2)27-22(18)23(30)32;1-13-16(10-25)20(15-4-3-14(23)9-18(15)24)17-11-29(22(31)21(17)26-13)12-19(30)28-7-5-27(2)6-8-28;1-12-15(9-24)19(14-3-2-13(22)8-17(14)23)16-10-27(21(29)20(16)25-12)11-18(28)26-4-6-30-7-5-26/h4-5,10,16H,6-9,11-13,27H2,1-3H3;2-7,9H,8,10-12,26H2,1H3,(H,28,31);4-5,10H,3,6-9,11-13,26H2,1-2H3;3-4,9H,5-8,10-12,25H2,1-2H3;2-3,8H,4-7,9-11,24H2,1H3.

What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide?

3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 2348.92 g/mol, XLogP of 14.95, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-methyl-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-pyrrolo[3,4-b]pyridin-7-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-morpholin-4-yl-2-oxoethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 159867186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).