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

C85H77ClF6N24O5 — CID 161033328

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

5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine (PubChem CID 161033328) has the molecular formula C85H77ClF6N24O5 and a molecular weight of 1664.15 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine
• PubChem CID: 161033328
• Molecular Formula: C85H77ClF6N24O5
• Molecular Weight: 1664.15 g/mol
• Exact Mass: 1662.61
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine
• SMILES: COc1cc(-c2cncn2C)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cncn4C)cc3OC)c3c(n2)CC(C(F)F)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccc(-c4cncn4C)cc3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C30H28F2N8O2.C26H21F2N7O.C23H23ClF2N6O2.C6H5N3/c1-33-25-8-6-7-19(35-25)14-20-15-22(37-21-11-10-18(13-24(21)41-3)23-16-34-17-39(23)2)27-29(36-20)40(30(38-27)28(31)32)26-9-4-5-12-42-26;1-29-24-6-4-5-16(32-24)10-17-11-19(25-20(31-17)12-21(34-25)26(27)28)33-18-8-7-15(9-23(18)36-3)22-13-30-14-35(22)2;1-31-12-27-11-16(31)13-6-7-14(17(9-13)33-2)28-15-10-18(24)29-22-20(15)30-23(21(25)26)32(22)19-5-3-4-8-34-19;1-8-6-4-2-3-5(7)9-6/h6-8,10-11,13,15-17,26,28H,4-5,9,12,14H2,2-3H3,(H,36,37);4-9,11,13-14,26H,10,12H2,2-3H3,(H,31,33);6-7,9-12,19,21H,3-5,8H2,1-2H3,(H,28,29);2-4H,(H2,7,9)
• InChIKey: TZXNVPRMWIAQOX-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 300.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.15
LogP ≤ 5	19.51
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-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine (CID 161033328) is 5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine.

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

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

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

The InChIKey is TZXNVPRMWIAQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N8O2.C26H21F2N7O.C23H23ClF2N6O2.C6H5N3/c1-33-25-8-6-7-19(35-25)14-20-15-22(37-21-11-10-18(13-24(21)41-3)23-16-34-17-39(23)2)27-29(36-20)40(30(38-27)28(31)32)26-9-4-5-12-42-26;1-29-24-6-4-5-16(32-24)10-17-11-19(25-20(31-17)12-21(34-25)26(27)28)33-18-8-7-15(9-23(18)36-3)22-13-30-14-35(22)2;1-31-12-27-11-16(31)13-6-7-14(17(9-13)33-2)28-15-10-18(24)29-22-20(15)30-23(21(25)26)32(22)19-5-3-4-8-34-19;1-8-6-4-2-3-5(7)9-6/h6-8,10-11,13,15-17,26,28H,4-5,9,12,14H2,2-3H3,(H,36,37);4-9,11,13-14,26H,10,12H2,2-3H3,(H,31,33);6-7,9-12,19,21H,3-5,8H2,1-2H3,(H,28,29);2-4H,(H2,7,9).

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

5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine has a molecular weight of 1664.15 g/mol, XLogP of 19.51, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-isocyanopyridin-2-amine is sourced from PubChem (CID 161033328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).