5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine

C111H131Cl3N26O11S8 — CID 157220791

About 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine

5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine (PubChem CID 157220791) has the molecular formula C111H131Cl3N26O11S8 and a molecular weight of 2368.33 g/mol. Its IUPAC name is 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine
• PubChem CID: 157220791
• Molecular Formula: C111H131Cl3N26O11S8
• Molecular Weight: 2368.33 g/mol
• Exact Mass: 2364.73
• IUPAC Name: 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine
• SMILES: CC1(C)CSC(c2ccc(N)c(S(C)(=O)=O)c2)=N1.CC1=Nc2c(Nc3ccc(C4=NC(C)(C)CS4)cc3S(C)(=O)=O)cc(Cc3cc(C)nc(C)n3)nc2C1.Cc1cc(Cc2cc(Nc3ccc(C4=NC(C)(C)CS4)cc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc(C)n1.Cc1cc(N)ncn1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4=NC(C)(C)CS4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1
• InChI: InChI=1S/C31H37N7O3S2.C27H30N6O2S2.C24H28ClN5O3S2.C12H13Cl2N3O.C12H16N2O2S2.C5H7N3/c1-18-13-22(33-19(2)32-18)15-23-16-25(28-29(35-23)38(20(3)34-28)27-9-7-8-12-41-27)36-24-11-10-21(14-26(24)43(6,39)40)30-37-31(4,5)17-42-30;1-15-9-19(30-17(3)28-15)12-20-13-23(25-22(31-20)10-16(2)29-25)32-21-8-7-18(11-24(21)37(6,34)35)26-33-27(4,5)14-36-26;1-14-26-21-17(12-19(25)28-22(21)30(14)20-7-5-6-10-33-20)27-16-9-8-15(11-18(16)35(4,31)32)23-29-24(2,3)13-34-23;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-12(2)7-17-11(14-12)8-4-5-9(13)10(6-8)18(3,15)16;1-4-2-5(6)8-3-7-4/h10-11,13-14,16,27H,7-9,12,15,17H2,1-6H3,(H,35,36);7-9,11,13H,10,12,14H2,1-6H3,(H,31,32);8-9,11-12,20H,5-7,10,13H2,1-4H3,(H,27,28);6,10H,2-5H2,1H3;4-6H,7,13H2,1-3H3;2-3H,1H3,(H2,6,7,8)
• InChIKey: ASYTZUIAICJKHC-UHFFFAOYSA-N
• XLogP: 22.57
• TPSA: 496.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.33
LogP ≤ 5	22.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

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 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine?

The IUPAC name of 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine (CID 157220791) is 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine.

What is the SMILES notation for 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine?

The canonical SMILES for 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine is CC1(C)CSC(c2ccc(N)c(S(C)(=O)=O)c2)=N1.CC1=Nc2c(Nc3ccc(C4=NC(C)(C)CS4)cc3S(C)(=O)=O)cc(Cc3cc(C)nc(C)n3)nc2C1.Cc1cc(Cc2cc(Nc3ccc(C4=NC(C)(C)CS4)cc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc(C)n1.Cc1cc(N)ncn1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4=NC(C)(C)CS4)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.

What is the InChIKey of 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine?

The InChIKey is ASYTZUIAICJKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7O3S2.C27H30N6O2S2.C24H28ClN5O3S2.C12H13Cl2N3O.C12H16N2O2S2.C5H7N3/c1-18-13-22(33-19(2)32-18)15-23-16-25(28-29(35-23)38(20(3)34-28)27-9-7-8-12-41-27)36-24-11-10-21(14-26(24)43(6,39)40)30-37-31(4,5)17-42-30;1-15-9-19(30-17(3)28-15)12-20-13-23(25-22(31-20)10-16(2)29-25)32-21-8-7-18(11-24(21)37(6,34)35)26-33-27(4,5)14-36-26;1-14-26-21-17(12-19(25)28-22(21)30(14)20-7-5-6-10-33-20)27-16-9-8-15(11-18(16)35(4,31)32)23-29-24(2,3)13-34-23;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-12(2)7-17-11(14-12)8-4-5-9(13)10(6-8)18(3,15)16;1-4-2-5(6)8-3-7-4/h10-11,13-14,16,27H,7-9,12,15,17H2,1-6H3,(H,35,36);7-9,11,13H,10,12,14H2,1-6H3,(H,31,32);8-9,11-12,20H,5-7,10,13H2,1-4H3,(H,27,28);6,10H,2-5H2,1H3;4-6H,7,13H2,1-3H3;2-3H,1H3,(H2,6,7,8).

What are the key properties of 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine?

5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine has a molecular weight of 2368.33 g/mol, XLogP of 22.57, 21 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(2,6-dimethylpyrimidin-4-yl)methyl]-N-[4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;4-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-2-methylsulfonylaniline;6-methylpyrimidin-4-amine is sourced from PubChem (CID 157220791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).