5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline

C108H105Cl3N26O7S4 — CID 161377872

About 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline

5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline (PubChem CID 161377872) has the molecular formula C108H105Cl3N26O7S4 and a molecular weight of 2113.83 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

• Compound Name: 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline
• PubChem CID: 161377872
• Molecular Formula: C108H105Cl3N26O7S4
• Molecular Weight: 2113.83 g/mol
• Exact Mass: 2110.66
• IUPAC Name: 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline
• SMILES: COc1c(N)cccc1-c1nc(C)cs1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nc(C)cs4)c3OC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nc(C)cs4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C30H29N7O2S.C26H22N6OS.C23H24ClN5O2S.C12H13Cl2N3O.C11H12N2OS.C6H5N3/c1-18-17-40-30(32-18)22-10-8-11-23(28(22)38-4)36-24-16-21(15-20-9-7-12-25(31-3)34-20)35-29-27(24)33-19(2)37(29)26-13-5-6-14-39-26;1-15-11-21-24(28-15)22(13-18(30-21)12-17-7-5-10-23(27-3)31-17)32-20-9-6-8-19(25(20)33-4)26-29-16(2)14-34-26;1-13-12-32-23(25-13)15-7-6-8-16(21(15)30-3)27-17-11-18(24)28-22-20(17)26-14(2)29(22)19-9-4-5-10-31-19;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-7-6-15-11(13-7)8-4-3-5-9(12)10(8)14-2;1-8-6-4-2-3-5(7)9-6/h7-12,16-17,26H,5-6,13-15H2,1-2,4H3,(H,35,36);5-10,13-14H,11-12H2,1-2,4H3,(H,30,32);6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-6H,12H2,1-2H3;2-4H,(H2,7,9)
• InChIKey: VRHWFFMSJOGIGD-UHFFFAOYSA-N
• XLogP: 27.56
• TPSA: 373.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.83
LogP ≤ 5	27.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline?

The IUPAC name of 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline (CID 161377872) is 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline.

What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline?

The canonical SMILES for 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline is COc1c(N)cccc1-c1nc(C)cs1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nc(C)cs4)c3OC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3cccc(-c4nc(C)cs4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

What is the InChIKey of 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline?

The InChIKey is VRHWFFMSJOGIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2S.C26H22N6OS.C23H24ClN5O2S.C12H13Cl2N3O.C11H12N2OS.C6H5N3/c1-18-17-40-30(32-18)22-10-8-11-23(28(22)38-4)36-24-16-21(15-20-9-7-12-25(31-3)34-20)35-29-27(24)33-19(2)37(29)26-13-5-6-14-39-26;1-15-11-21-24(28-15)22(13-18(30-21)12-17-7-5-10-23(27-3)31-17)32-20-9-6-8-19(25(20)33-4)26-29-16(2)14-34-26;1-13-12-32-23(25-13)15-7-6-8-16(21(15)30-3)27-17-11-18(24)28-22-20(17)26-14(2)29(22)19-9-4-5-10-31-19;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-7-6-15-11(13-7)8-4-3-5-9(12)10(8)14-2;1-8-6-4-2-3-5(7)9-6/h7-12,16-17,26H,5-6,13-15H2,1-2,4H3,(H,35,36);5-10,13-14H,11-12H2,1-2,4H3,(H,30,32);6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-6H,12H2,1-2H3;2-4H,(H2,7,9).

What are the key properties of 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline?

5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline has a molecular weight of 2113.83 g/mol, XLogP of 27.56, 21 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-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;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 161377872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).