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

C85H83ClN24O5 — CID 159898051

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

5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine (PubChem CID 159898051) has the molecular formula C85H83ClN24O5 and a molecular weight of 1556.21 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine
• PubChem CID: 159898051
• Molecular Formula: C85H83ClN24O5
• Molecular Weight: 1556.21 g/mol
• Exact Mass: 1554.67
• IUPAC Name: 5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine
• SMILES: COc1cc(-c2cncn2C)ccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cncn4C)cc3OC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cncn4C)cc3OC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C30H30N8O2.C26H23N7O.C23H25ClN6O2.C6H5N3/c1-19-33-29-24(36-23-12-11-20(14-26(23)39-4)25-17-32-18-37(25)3)16-22(15-21-8-7-9-27(31-2)34-21)35-30(29)38(19)28-10-5-6-13-40-28;1-16-10-21-26(29-16)22(13-19(30-21)12-18-6-5-7-25(27-2)31-18)32-20-9-8-17(11-24(20)34-4)23-14-28-15-33(23)3;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-32-21)27-16-8-7-15(10-19(16)31-3)18-12-25-13-29(18)2;1-8-6-4-2-3-5(7)9-6/h7-9,11-12,14,16-18,28H,5-6,10,13,15H2,1,3-4H3,(H,35,36);5-9,11,13-15H,10,12H2,1,3-4H3,(H,30,32);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);2-4H,(H2,7,9)
• InChIKey: NVPFSJYCGMTHJO-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 300.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1556.21
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine?

The IUPAC name of 5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine (CID 159898051) is 5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine.

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

The canonical SMILES for 5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine is COc1cc(-c2cncn2C)ccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cncn4C)cc3OC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cncn4C)cc3OC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

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

The InChIKey is NVPFSJYCGMTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O2.C26H23N7O.C23H25ClN6O2.C6H5N3/c1-19-33-29-24(36-23-12-11-20(14-26(23)39-4)25-17-32-18-37(25)3)16-22(15-21-8-7-9-27(31-2)34-21)35-30(29)38(19)28-10-5-6-13-40-28;1-16-10-21-26(29-16)22(13-19(30-21)12-18-6-5-7-25(27-2)31-18)32-20-9-8-17(11-24(20)34-4)23-14-28-15-33(23)3;1-14-26-22-17(11-20(24)28-23(22)30(14)21-6-4-5-9-32-21)27-16-8-7-15(10-19(16)31-3)18-12-25-13-29(18)2;1-8-6-4-2-3-5(7)9-6/h7-9,11-12,14,16-18,28H,5-6,10,13,15H2,1,3-4H3,(H,35,36);5-9,11,13-15H,10,12H2,1,3-4H3,(H,30,32);7-8,10-13,21H,4-6,9H2,1-3H3,(H,27,28);2-4H,(H2,7,9).

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

5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 1556.21 g/mol, XLogP of 18.01, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;6-isocyanopyridin-2-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 159898051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).