2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine

C85H64F20N20O8 — CID 159647710

About 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine

2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine (PubChem CID 159647710) has the molecular formula C85H64F20N20O8 and a molecular weight of 1873.54 g/mol. Its IUPAC name is 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
• PubChem CID: 159647710
• Molecular Formula: C85H64F20N20O8
• Molecular Weight: 1873.54 g/mol
• Exact Mass: 1872.49
• IUPAC Name: 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine
• SMILES: COCCNc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=[N+]([O-])c1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.OCCNc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
• InChI: InChI=1S/C23H20F5N5O2.C22H18F5N5O2.C20H12F5N5O3.C20H14F5N5O/c1-34-11-9-29-15-12-17(20-21(23(26,27)28)32-19-4-2-3-10-33(19)20)31-18(13-15)30-14-5-7-16(8-6-14)35-22(24)25;23-21(24)34-15-6-4-13(5-7-15)29-17-12-14(28-8-10-33)11-16(30-17)19-20(22(25,26)27)31-18-3-1-2-9-32(18)19;21-19(22)33-13-6-4-11(5-7-13)26-15-10-12(30(31)32)9-14(27-15)17-18(20(23,24)25)28-16-3-1-2-8-29(16)17;21-19(22)31-13-6-4-12(5-7-13)27-15-10-11(26)9-14(28-15)17-18(20(23,24)25)29-16-3-1-2-8-30(16)17/h2-8,10,12-13,22H,9,11H2,1H3,(H2,29,30,31);1-7,9,11-12,21,33H,8,10H2,(H2,28,29,30);1-10,19H,(H,26,27);1-10,19H,(H3,26,27,28)
• InChIKey: MRDXSTXNKDEVFI-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 328.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1873.54
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine?

The IUPAC name of 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine (CID 159647710) is 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine.

What is the SMILES notation for 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine?

The canonical SMILES for 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine is COCCNc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=[N+]([O-])c1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.OCCNc1cc(Nc2ccc(OC(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.

What is the InChIKey of 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine?

The InChIKey is MRDXSTXNKDEVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N5O2.C22H18F5N5O2.C20H12F5N5O3.C20H14F5N5O/c1-34-11-9-29-15-12-17(20-21(23(26,27)28)32-19-4-2-3-10-33(19)20)31-18(13-15)30-14-5-7-16(8-6-14)35-22(24)25;23-21(24)34-15-6-4-13(5-7-15)29-17-12-14(28-8-10-33)11-16(30-17)19-20(22(25,26)27)31-18-3-1-2-9-32(18)19;21-19(22)33-13-6-4-11(5-7-13)26-15-10-12(30(31)32)9-14(27-15)17-18(20(23,24)25)28-16-3-1-2-8-29(16)17;21-19(22)31-13-6-4-12(5-7-13)27-15-10-11(26)9-14(28-15)17-18(20(23,24)25)29-16-3-1-2-8-30(16)17/h2-8,10,12-13,22H,9,11H2,1H3,(H2,29,30,31);1-7,9,11-12,21,33H,8,10H2,(H2,28,29,30);1-10,19H,(H,26,27);1-10,19H,(H3,26,27,28).

What are the key properties of 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine?

2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine has a molecular weight of 1873.54 g/mol, XLogP of 21.99, 28 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(difluoromethoxy)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-pyridinyl]amino]ethanol;2-N-[4-(difluoromethoxy)phenyl]-4-N-(2-methoxyethyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-4-nitro-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-2,4-diamine is sourced from PubChem (CID 159647710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).