5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline

C101H111Cl4F4N25O10S4 — CID 159140584

About 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline

5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline (PubChem CID 159140584) has the molecular formula C101H111Cl4F4N25O10S4 and a molecular weight of 2181.24 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline
• PubChem CID: 159140584
• Molecular Formula: C101H111Cl4F4N25O10S4
• Molecular Weight: 2181.24 g/mol
• Exact Mass: 2177.65
• IUPAC Name: 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline
• SMILES: CSc1cc(-c2cncn2C)ccc1N.CSc1cc(-c2cncn2C)ccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F
• InChI: InChI=1S/C28H30F2N6O4S.C23H25ClN6O3S.C23H25ClN6OS.C12H13Cl2N3O.C11H13N3S.C4H5F2NO/c1-16-32-26-21(34-20-8-7-17(10-24(20)41(3,38)39)22-14-31-15-35(22)2)11-18(12-23(37)19-13-28(19,29)30)33-27(26)36(16)25-6-4-5-9-40-25;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-33-21)27-16-8-7-15(10-19(16)34(3,31)32)18-12-25-13-29(18)2;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-31-21)27-16-8-7-15(10-19(16)32-3)18-12-25-13-29(18)2;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-7-13-6-10(14)8-3-4-9(12)11(5-8)15-2;5-4(6)1-2(4)3(7)8/h7-8,10-11,14-15,19,25H,4-6,9,12-13H2,1-3H3,(H,33,34);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-7H,12H2,1-2H3;2H,1H2,(H2,7,8)
• InChIKey: KIASBVAPQNQKAL-UHFFFAOYSA-N
• XLogP: 21.61
• TPSA: 421.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.24
LogP ≤ 5	21.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

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-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline?

The IUPAC name of 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline (CID 159140584) is 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline.

What is the SMILES notation for 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline?

The canonical SMILES for 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline is CSc1cc(-c2cncn2C)ccc1N.CSc1cc(-c2cncn2C)ccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3S(C)(=O)=O)cc(CC(=O)C3CC3(F)F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cncn4C)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1(F)F.

What is the InChIKey of 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline?

The InChIKey is KIASBVAPQNQKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O4S.C23H25ClN6O3S.C23H25ClN6OS.C12H13Cl2N3O.C11H13N3S.C4H5F2NO/c1-16-32-26-21(34-20-8-7-17(10-24(20)41(3,38)39)22-14-31-15-35(22)2)11-18(12-23(37)19-13-28(19,29)30)33-27(26)36(16)25-6-4-5-9-40-25;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-33-21)27-16-8-7-15(10-19(16)34(3,31)32)18-12-25-13-29(18)2;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-31-21)27-16-8-7-15(10-19(16)32-3)18-12-25-13-29(18)2;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-14-7-13-6-10(14)8-3-4-9(12)11(5-8)15-2;5-4(6)1-2(4)3(7)8/h7-8,10-11,14-15,19,25H,4-6,9,12-13H2,1-3H3,(H,33,34);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-7H,12H2,1-2H3;2H,1H2,(H2,7,8).

What are the key properties of 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline?

5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline has a molecular weight of 2181.24 g/mol, XLogP of 21.61, 22 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfanylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-2-methyl-N-[4-(3-methylimidazol-4-yl)-2-methylsulfonylphenyl]-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;2,2-difluorocyclopropane-1-carboxamide;1-(2,2-difluorocyclopropyl)-2-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;4-(3-methylimidazol-4-yl)-2-methylsulfanylaniline is sourced from PubChem (CID 159140584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).