5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine

C111H109Cl4F5N26O10S5 — CID 158252483

About 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine

5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine (PubChem CID 158252483) has the molecular formula C111H109Cl4F5N26O10S5 and a molecular weight of 2364.40 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine
• PubChem CID: 158252483
• Molecular Formula: C111H109Cl4F5N26O10S5
• Molecular Weight: 2364.40 g/mol
• Exact Mass: 2360.61
• IUPAC Name: 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine
• SMILES: CSc1cc(F)ccc1N.CSc1cc(F)ccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(F)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(F)cc3S(C)(=O)=O)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(F)cc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C26H25FN6O3S.C22H18FN5O2S.C19H20ClFN4O3S.C19H20ClFN4OS.C12H13Cl2N3O.C7H8FNS.C6H5N3/c1-16-29-25-21(32-20-11-10-17(27)13-22(20)37(3,34)35)15-19(14-18-7-6-8-23(28-2)30-18)31-26(25)33(16)24-9-4-5-12-36-24;1-13-9-18-22(25-13)19(28-17-8-7-14(23)10-20(17)31(3,29)30)12-16(26-18)11-15-5-4-6-21(24-2)27-15;1-11-22-18-14(23-13-7-6-12(21)9-15(13)29(2,26)27)10-16(20)24-19(18)25(11)17-5-3-4-8-28-17;1-11-22-18-14(23-13-7-6-12(21)9-15(13)27-2)10-16(20)24-19(18)25(11)17-5-3-4-8-26-17;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-10-7-4-5(8)2-3-6(7)9;1-8-6-4-2-3-5(7)9-6/h6-8,10-11,13,15,24H,4-5,9,12,14H2,1,3H3,(H,31,32);4-8,10,12H,9,11H2,1,3H3,(H,26,28);6-7,9-10,17H,3-5,8H2,1-2H3,(H,23,24);6-7,9-10,17H,3-5,8H2,1-2H3,(H,23,24);6,10H,2-5H2,1H3;2-4H,9H2,1H3;2-4H,(H2,7,9)
• InChIKey: GGWRHPPQDDFUHJ-UHFFFAOYSA-N
• XLogP: 26.98
• TPSA: 439.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2364.40
LogP ≤ 5	26.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine?

The IUPAC name of 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine (CID 158252483) is 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine.

What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine?

The canonical SMILES for 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine is CSc1cc(F)ccc1N.CSc1cc(F)ccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(F)cc3S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(F)cc3S(C)(=O)=O)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(F)cc3S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

What is the InChIKey of 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine?

The InChIKey is GGWRHPPQDDFUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3S.C22H18FN5O2S.C19H20ClFN4O3S.C19H20ClFN4OS.C12H13Cl2N3O.C7H8FNS.C6H5N3/c1-16-29-25-21(32-20-11-10-17(27)13-22(20)37(3,34)35)15-19(14-18-7-6-8-23(28-2)30-18)31-26(25)33(16)24-9-4-5-12-36-24;1-13-9-18-22(25-13)19(28-17-8-7-14(23)10-20(17)31(3,29)30)12-16(26-18)11-15-5-4-6-21(24-2)27-15;1-11-22-18-14(23-13-7-6-12(21)9-15(13)29(2,26)27)10-16(20)24-19(18)25(11)17-5-3-4-8-28-17;1-11-22-18-14(23-13-7-6-12(21)9-15(13)27-2)10-16(20)24-19(18)25(11)17-5-3-4-8-26-17;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-10-7-4-5(8)2-3-6(7)9;1-8-6-4-2-3-5(7)9-6/h6-8,10-11,13,15,24H,4-5,9,12,14H2,1,3H3,(H,31,32);4-8,10,12H,9,11H2,1,3H3,(H,26,28);6-7,9-10,17H,3-5,8H2,1-2H3,(H,23,24);6-7,9-10,17H,3-5,8H2,1-2H3,(H,23,24);6,10H,2-5H2,1H3;2-4H,9H2,1H3;2-4H,(H2,7,9).

What are the key properties of 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine?

5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine has a molecular weight of 2364.40 g/mol, XLogP of 26.98, 21 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(4-fluoro-2-methylsulfanylphenyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-chloro-N-(4-fluoro-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;4-fluoro-2-methylsulfanylaniline;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;N-(4-fluoro-2-methylsulfonylphenyl)-5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine is sourced from PubChem (CID 158252483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).