3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C117H117Cl12F3N24O11 — CID 161305955

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 161305955) has the molecular formula C117H117Cl12F3N24O11 and a molecular weight of 2517.81 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 161305955
• Molecular Formula: C117H117Cl12F3N24O11
• Molecular Weight: 2517.81 g/mol
• Exact Mass: 2510.55
• IUPAC Name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: CCN(CC)C(=O)[C@@H](C)N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N(C)C)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CCOCC(F)(F)F)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ccn(C)n1)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N([C@H](C)C(=O)O)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(c1ccn(C)n1)C2
• InChI: InChI=1S/C22H26Cl2N4O2.C20H19Cl2N5O.C19H18Cl2F3N3O2.C19H17Cl2N5O.C19H20Cl2N4O2.C18H17Cl2N3O3/c1-5-27(6-2)21(29)13(4)28-11-18-20(22(28)30)19(16(10-25)12(3)26-18)15-8-7-14(23)9-17(15)24;1-11-15(8-23)18(14-4-3-12(21)7-16(14)22)19-17(24-11)10-27(20(19)28)9-13-5-6-26(2)25-13;1-10-13(7-25)16(12-3-2-11(20)6-14(12)21)17-15(26-10)8-27(18(17)28)4-5-29-9-19(22,23)24;1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)18-15(23-10)9-26(19(18)27)16-5-6-25(2)24-16;1-10-13(7-22)17(12-5-4-11(20)6-14(12)21)18-15(23-10)8-25(19(18)27)9-16(26)24(2)3;1-8-12(6-21)15(11-4-3-10(19)5-13(11)20)16-14(22-8)7-23(17(16)24)9(2)18(25)26/h7-9,13H,5-6,10-11,25H2,1-4H3;3-7H,8-10,23H2,1-2H3;2-3,6H,4-5,7-9,25H2,1H3;3-7H,8-9,22H2,1-2H3;4-6H,7-9,22H2,1-3H3;3-5,9H,6-7,21H2,1-2H3,(H,25,26)/t13-;;;;;9-/m1....1/s1
• InChIKey: VIGANQKGKYNZAW-MRPQGIQMSA-N
• XLogP: 21.94
• TPSA: 478.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2517.81
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 161305955) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CCN(CC)C(=O)[C@@H](C)N1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N(C)C)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CCOCC(F)(F)F)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(Cc1ccn(C)n1)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N([C@H](C)C(=O)O)C2.Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(c1ccn(C)n1)C2.

What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is VIGANQKGKYNZAW-MRPQGIQMSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2.C20H19Cl2N5O.C19H18Cl2F3N3O2.C19H17Cl2N5O.C19H20Cl2N4O2.C18H17Cl2N3O3/c1-5-27(6-2)21(29)13(4)28-11-18-20(22(28)30)19(16(10-25)12(3)26-18)15-8-7-14(23)9-17(15)24;1-11-15(8-23)18(14-4-3-12(21)7-16(14)22)19-17(24-11)10-27(20(19)28)9-13-5-6-26(2)25-13;1-10-13(7-25)16(12-3-2-11(20)6-14(12)21)17-15(26-10)8-27(18(17)28)4-5-29-9-19(22,23)24;1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)18-15(23-10)9-26(19(18)27)16-5-6-25(2)24-16;1-10-13(7-22)17(12-5-4-11(20)6-14(12)21)18-15(23-10)8-25(19(18)27)9-16(26)24(2)3;1-8-12(6-21)15(11-4-3-10(19)5-13(11)20)16-14(22-8)7-23(17(16)24)9(2)18(25)26/h7-9,13H,5-6,10-11,25H2,1-4H3;3-7H,8-10,23H2,1-2H3;2-3,6H,4-5,7-9,25H2,1H3;3-7H,8-9,22H2,1-2H3;4-6H,7-9,22H2,1-3H3;3-5,9H,6-7,21H2,1-2H3,(H,25,26)/t13-;;;;;9-/m1....1/s1.

What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 2517.81 g/mol, XLogP of 21.94, 27 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[(1-methylpyrazol-3-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(1-methylpyrazol-3-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide;2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide;(2R)-2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]propanoic acid;3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 161305955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).