5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

C88H73ClF12N30O5 — CID 158058840

About 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 158058840) has the molecular formula C88H73ClF12N30O5 and a molecular weight of 1894.19 g/mol. Its IUPAC name is 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
• PubChem CID: 158058840
• Molecular Formula: C88H73ClF12N30O5
• Molecular Weight: 1894.19 g/mol
• Exact Mass: 1892.59
• IUPAC Name: 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
• SMILES: CCNC(c1ccc(Nc2cc(Oc3cnc(C#N)cc3C)nc3c2ncn3C)nc1)C(F)(F)F.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(Cl)C(F)(F)F)cn2)c2ncn(C)c2n1.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(N(C)C)C(F)(F)F)cn2)c2ncn(C)c2n1.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(O)C(F)(F)F)cn2)c2ncn(C)c2n1
• InChI: InChI=1S/2C23H21F3N8O.C21H15ClF3N7O.C21H16F3N7O2/c1-13-7-15(9-27)28-11-17(13)35-19-8-16(20-22(32-19)34(4)12-30-20)31-18-6-5-14(10-29-18)21(33(2)3)23(24,25)26;1-4-28-21(23(24,25)26)14-5-6-18(30-10-14)32-16-8-19(33-22-20(16)31-12-34(22)3)35-17-11-29-15(9-27)7-13(17)2;1-11-5-13(7-26)27-9-15(11)33-17-6-14(18-20(31-17)32(2)10-29-18)30-16-4-3-12(8-28-16)19(22)21(23,24)25;1-11-5-13(7-25)26-9-15(11)33-17-6-14(18-20(30-17)31(2)10-28-18)29-16-4-3-12(8-27-16)19(32)21(22,23)24/h5-8,10-12,21H,1-4H3,(H,29,31,32);5-8,10-12,21,28H,4H2,1-3H3,(H,30,32,33);3-6,8-10,19H,1-2H3,(H,28,30,31);3-6,8-10,19,32H,1-2H3,(H,27,29,30)
• InChIKey: FKJWWLIZWWCZFX-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 441.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.19
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The IUPAC name of 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 158058840) is 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

What is the SMILES notation for 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The canonical SMILES for 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is CCNC(c1ccc(Nc2cc(Oc3cnc(C#N)cc3C)nc3c2ncn3C)nc1)C(F)(F)F.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(Cl)C(F)(F)F)cn2)c2ncn(C)c2n1.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(N(C)C)C(F)(F)F)cn2)c2ncn(C)c2n1.Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(O)C(F)(F)F)cn2)c2ncn(C)c2n1.

What is the InChIKey of 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

The InChIKey is FKJWWLIZWWCZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21F3N8O.C21H15ClF3N7O.C21H16F3N7O2/c1-13-7-15(9-27)28-11-17(13)35-19-8-16(20-22(32-19)34(4)12-30-20)31-18-6-5-14(10-29-18)21(33(2)3)23(24,25)26;1-4-28-21(23(24,25)26)14-5-6-18(30-10-14)32-16-8-19(33-22-20(16)31-12-34(22)3)35-17-11-29-15(9-27)7-13(17)2;1-11-5-13(7-26)27-9-15(11)33-17-6-14(18-20(31-17)32(2)10-29-18)30-16-4-3-12(8-28-16)19(22)21(23,24)25;1-11-5-13(7-25)26-9-15(11)33-17-6-14(18-20(30-17)31(2)10-28-18)29-16-4-3-12(8-27-16)19(32)21(22,23)24/h5-8,10-12,21H,1-4H3,(H,29,31,32);5-8,10-12,21,28H,4H2,1-3H3,(H,30,32,33);3-6,8-10,19H,1-2H3,(H,28,30,31);3-6,8-10,19,32H,1-2H3,(H,27,29,30).

What are the key properties of 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?

5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 1894.19 g/mol, XLogP of 18.71, 23 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[[5-(1-chloro-2,2,2-trifluoroethyl)-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;5-[7-[[5-[1-(ethylamino)-2,2,2-trifluoroethyl]-2-pyridinyl]amino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxy-4-methylpyridine-2-carbonitrile;4-methyl-5-[3-methyl-7-[[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 158058840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).