azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate

C65H65F6N17O8 — CID 160860092

About azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate

azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate (PubChem CID 160860092) has the molecular formula C65H65F6N17O8 and a molecular weight of 1326.33 g/mol. Its IUPAC name is azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate
• PubChem CID: 160860092
• Molecular Formula: C65H65F6N17O8
• Molecular Weight: 1326.33 g/mol
• Exact Mass: 1325.51
• IUPAC Name: azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate
• SMILES: CN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(C(=O)N3CCC3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(C(=O)Oc3ccc([N+](=O)[O-])cc3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F
• InChI: InChI=1S/C25H22F2N6O5.C22H24F2N6O2.C18H19F2N5O/c1-30-14-29-19-11-28-23(10-21(19)30)31(2)20-8-3-15(9-22(20)38-24(26)27)16-12-32(13-16)25(34)37-18-6-4-17(5-7-18)33(35)36;1-27-13-26-16-10-25-20(9-18(16)27)28(2)17-5-4-14(8-19(17)32-21(23)24)15-11-30(12-15)22(31)29-6-3-7-29;1-24-10-23-13-9-22-17(6-15(13)24)25(2)14-4-3-11(12-7-21-8-12)5-16(14)26-18(19)20/h3-11,14,16,24H,12-13H2,1-2H3;4-5,8-10,13,15,21H,3,6-7,11-12H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3
• InChIKey: SKJDJAZVMWGDAE-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 237.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1326.33
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate?

The IUPAC name of azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate (CID 160860092) is azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate.

What is the SMILES notation for azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate?

The canonical SMILES for azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate is CN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(C(=O)N3CCC3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(C(=O)Oc3ccc([N+](=O)[O-])cc3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F.

What is the InChIKey of azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate?

The InChIKey is SKJDJAZVMWGDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O5.C22H24F2N6O2.C18H19F2N5O/c1-30-14-29-19-11-28-23(10-21(19)30)31(2)20-8-3-15(9-22(20)38-24(26)27)16-12-32(13-16)25(34)37-18-6-4-17(5-7-18)33(35)36;1-27-13-26-16-10-25-20(9-18(16)27)28(2)17-5-4-14(8-19(17)32-21(23)24)15-11-30(12-15)22(31)29-6-3-7-29;1-24-10-23-13-9-22-17(6-15(13)24)25(2)14-4-3-11(12-7-21-8-12)5-16(14)26-18(19)20/h3-11,14,16,24H,12-13H2,1-2H3;4-5,8-10,13,15,21H,3,6-7,11-12H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3.

What are the key properties of azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate?

azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate has a molecular weight of 1326.33 g/mol, XLogP of 11.43, 17 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidin-1-yl]methanone;N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;(4-nitrophenyl) 3-[3-(difluoromethoxy)-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate is sourced from PubChem (CID 160860092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).