N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)

C128H158Cl3N33O15S5 — CID 159028630

About N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)

N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide) (PubChem CID 159028630) has the molecular formula C128H158Cl3N33O15S5 and a molecular weight of 2674.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide).

Molecular Properties

• Compound Name: N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)
• PubChem CID: 159028630
• Molecular Formula: C128H158Cl3N33O15S5
• Molecular Weight: 2674.64 g/mol
• Exact Mass: 2671.08
• IUPAC Name: N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)
• SMILES: Cc1cc(Cc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc(C)n1.Cc1cc(N)nc(C)n1.Cc1cc2c(Nc3ccccc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[2H]C([2H])([2H])N(c1ccccc1N)S(C)(=O)=O.[2H]C([2H])([2H])S(=O)(=O)N(C)c1ccccc1Nc1cc(Cc2cc(C)nc(C)n2)nc2c1nc(C)n2C1CCCCO1.[2H]C([2H])([2H])S(=O)(=O)N(C)c1ccccc1Nc1cc(Cc2cc(C)nc(C)n2)nc2c1nc(C)n2C1CCCCO1
• InChI: InChI=1S/3C27H33N7O3S.C21H25ClN4O3S.C12H13Cl2N3O.C8H12N2O2S.C6H9N3/c3*1-17-14-20(29-18(2)28-17)15-21-16-23(32-22-10-6-7-11-24(22)33(4)38(5,35)36)26-27(31-21)34(19(3)30-26)25-12-8-9-13-37-25;1-14-12-15-17(23-16-8-4-5-9-18(16)25(2)30(3,27)28)13-19(22)24-21(15)26(14)20-10-6-7-11-29-20;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-10(13(2,11)12)8-6-4-3-5-7(8)9;1-4-3-6(7)9-5(2)8-4/h3*6-7,10-11,14,16,25H,8-9,12-13,15H2,1-5H3,(H,31,32);4-5,8-9,12-13,20H,6-7,10-11H2,1-3H3,(H,23,24);6,10H,2-5H2,1H3;3-6H,9H2,1-2H3;3H,1-2H3,(H2,7,8,9)/i2*5D3;;;;1D3
• InChIKey: JUOZRTXTRSGORU-ZNVNRBIVSA-N
• XLogP: 23.65
• TPSA: 576.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2674.64
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)?

The IUPAC name of N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide) (CID 159028630) is N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide).

What is the SMILES notation for N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)?

The canonical SMILES for N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide) is Cc1cc(Cc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc(C)n1.Cc1cc(N)nc(C)n1.Cc1cc2c(Nc3ccccc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[2H]C([2H])([2H])N(c1ccccc1N)S(C)(=O)=O.[2H]C([2H])([2H])S(=O)(=O)N(C)c1ccccc1Nc1cc(Cc2cc(C)nc(C)n2)nc2c1nc(C)n2C1CCCCO1.[2H]C([2H])([2H])S(=O)(=O)N(C)c1ccccc1Nc1cc(Cc2cc(C)nc(C)n2)nc2c1nc(C)n2C1CCCCO1.

What is the InChIKey of N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)?

The InChIKey is JUOZRTXTRSGORU-ZNVNRBIVSA-N. The full InChI is InChI=1S/3C27H33N7O3S.C21H25ClN4O3S.C12H13Cl2N3O.C8H12N2O2S.C6H9N3/c3*1-17-14-20(29-18(2)28-17)15-21-16-23(32-22-10-6-7-11-24(22)33(4)38(5,35)36)26-27(31-21)34(19(3)30-26)25-12-8-9-13-37-25;1-14-12-15-17(23-16-8-4-5-9-18(16)25(2)30(3,27)28)13-19(22)24-21(15)26(14)20-10-6-7-11-29-20;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-10(13(2,11)12)8-6-4-3-5-7(8)9;1-4-3-6(7)9-5(2)8-4/h3*6-7,10-11,14,16,25H,8-9,12-13,15H2,1-5H3,(H,31,32);4-5,8-9,12-13,20H,6-7,10-11H2,1-3H3,(H,23,24);6,10H,2-5H2,1H3;3-6H,9H2,1-2H3;3H,1-2H3,(H2,7,8,9)/i2*5D3;;;;1D3;.

What are the key properties of N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide)?

N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide) has a molecular weight of 2674.64 g/mol, XLogP of 23.65, 32 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-N-(trideuteriomethyl)methanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2,6-dimethylpyrimidin-4-amine;N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;bis(1,1,1-trideuterio-N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide) is sourced from PubChem (CID 159028630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).