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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline

C₁₀₆H₁₁₈Cl₃N₂₁O₁₁S₄ — CID 159985938

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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline (PubChem CID 159985938) has the molecular formula C₁₀₆H₁₁₈Cl₃N₂₁O₁₁S₄ and a molecular weight of 2096.87 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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline
• PubChem CID: 159985938
• Molecular Formula: C₁₀₆H₁₁₈Cl₃N₂₁O₁₁S₄
• Molecular Weight: 2096.87 g/mol
• Exact Mass: 2093.73
• 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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline
• SMILES: COc1c(N)cccc1-c1nc(C)cs1.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
• InChI: InChI=1S/2C28H31N5O3S.C23H24ClN5O2S.C12H13Cl2N3O.C11H12N2OS.C4H7NO/c2*1-16-15-37-28(29-16)20-7-6-8-21(26(20)35-3)32-22-13-19(14-23(34)18-10-11-18)31-27-25(22)30-17(2)33(27)24-9-4-5-12-36-24;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;5-4(6)3-1-2-3/h2*6-8,13,15,18,24H,4-5,9-12,14H2,1-3H3,(H,31,32);6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-6H,12H2,1-2H3;3H,1-2H2,(H2,5,6)
• InChIKey: OGIJJHPEYLQVOO-UHFFFAOYSA-N
• XLogP: 24.90
• TPSA: 387.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.87
LogP ≤ 5	24.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

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-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline (CID 159985938) 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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline is COc1c(N)cccc1-c1nc(C)cs1.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.COc1c(Nc2cc(CC(=O)C3CC3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nc(C)cs1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.

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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline?

The InChIKey is OGIJJHPEYLQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31N5O3S.C23H24ClN5O2S.C12H13Cl2N3O.C11H12N2OS.C4H7NO/c2*1-16-15-37-28(29-16)20-7-6-8-21(26(20)35-3)32-22-13-19(14-23(34)18-10-11-18)31-27-25(22)30-17(2)33(27)24-9-4-5-12-36-24;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;5-4(6)3-1-2-3/h2*6-8,13,15,18,24H,4-5,9-12,14H2,1-3H3,(H,31,32);6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,27,28);6,10H,2-5H2,1H3;3-6H,12H2,1-2H3;3H,1-2H2,(H2,5,6).

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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline has a molecular weight of 2096.87 g/mol, XLogP of 24.90, 25 rotatable bonds, 5 hydrogen bond donors, and 35 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;cyclopropanecarboxamide;bis(1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone);5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 159985938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159985938 — identifiers, structure, computed properties (public domain)

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