2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile

C143H116F32N44O12S6 — CID 159909515

IUPAC2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3(C#N)CC3)cc2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3ccc(F)cc3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3cccc(C#N)c3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3ccccc3C#N)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3cncc(F)c3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C
InChIInChI=1S/2C25H19F5N8O2S.C25H21F5N6O2S.C24H19F6N7O2S.C23H18F6N8O2S.C21H20F5N7O2S/c1-4-41(39,40)23-19(22-34-18-9-16(12-32-21(18)36(22)2)24(26,27)25(28,29)30)35-20(37(23)3)15-11-33-38(13-15)17-7-5-6-14(8-17)10-31;1-4-41(39,40)23-19(22-34-17-9-16(12-32-21(17)36(22)2)24(26,27)25(28,29)30)35-20(37(23)3)15-11-33-38(13-15)18-8-6-5-7-14(18)10-31;1-4-39(37,38)22-18(34-19(36(22)3)14-5-7-15(8-6-14)23(13-31)9-10-23)21-33-17-11-16(12-32-20(17)35(21)2)24(26,27)25(28,29)30;1-4-40(38,39)22-18(21-33-17-9-14(11-31-20(17)35(21)2)23(26,27)24(28,29)30)34-19(36(22)3)13-10-32-37(12-13)16-7-5-15(25)6-8-16;1-4-40(38,39)21-17(20-33-16-5-13(8-31-19(16)35(20)2)22(25,26)23(27,28)29)34-18(36(21)3)12-7-32-37(11-12)15-6-14(24)9-30-10-15;1-4-36(34,35)19-15(30-16(32(19)3)11-8-28-33(10-11)13-5-6-13)18-29-14-7-12(9-27-17(14)31(18)2)20(22,23)21(24,25)26/h2*5-9,11-13H,4H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3;5-12H,4H2,1-3H3;5-11H,4H2,1-3H3;7-10,13H,4-6H2,1-3H3
InChIKeyNWZSTAHIOSOLDP-UHFFFAOYSA-N
MW3443.13 g/mol
LogP27.15
Rot. Bonds36

About 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile

2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile (PubChem CID 159909515) has the molecular formula C143H116F32N44O12S6 and a molecular weight of 3443.13 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile
PubChem CID159909515
Molecular FormulaC143H116F32N44O12S6
Molecular Weight3443.13 g/mol
Exact Mass3440.76
IUPAC Name2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3(C#N)CC3)cc2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3ccc(F)cc3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3cccc(C#N)c3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3ccccc3C#N)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3cncc(F)c3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C
InChIInChI=1S/2C25H19F5N8O2S.C25H21F5N6O2S.C24H19F6N7O2S.C23H18F6N8O2S.C21H20F5N7O2S/c1-4-41(39,40)23-19(22-34-18-9-16(12-32-21(18)36(22)2)24(26,27)25(28,29)30)35-20(37(23)3)15-11-33-38(13-15)17-7-5-6-14(8-17)10-31;1-4-41(39,40)23-19(22-34-17-9-16(12-32-21(17)36(22)2)24(26,27)25(28,29)30)35-20(37(23)3)15-11-33-38(13-15)18-8-6-5-7-14(18)10-31;1-4-39(37,38)22-18(34-19(36(22)3)14-5-7-15(8-6-14)23(13-31)9-10-23)21-33-17-11-16(12-32-20(17)35(21)2)24(26,27)25(28,29)30;1-4-40(38,39)22-18(21-33-17-9-14(11-31-20(17)35(21)2)23(26,27)24(28,29)30)34-19(36(22)3)13-10-32-37(12-13)16-7-5-15(25)6-8-16;1-4-40(38,39)21-17(20-33-16-5-13(8-31-19(16)35(20)2)22(25,26)23(27,28)29)34-18(36(21)3)12-7-32-37(11-12)15-6-14(24)9-30-10-15;1-4-36(34,35)19-15(30-16(32(19)3)11-8-28-33(10-11)13-5-6-13)18-29-14-7-12(9-27-17(14)31(18)2)20(22,23)21(24,25)26/h2*5-9,11-13H,4H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3;5-12H,4H2,1-3H3;5-11H,4H2,1-3H3;7-10,13H,4-6H2,1-3H3
InChIKeyNWZSTAHIOSOLDP-UHFFFAOYSA-N
XLogP27.15
TPSA669.38 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds36
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003443.13
LogP ≤ 527.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

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

Analyze 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile?
The IUPAC name of 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile (CID 159909515) is 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile?
The canonical SMILES for 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3(C#N)CC3)cc2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3ccc(F)cc3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3cccc(C#N)c3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3ccccc3C#N)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3cncc(F)c3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C.
What is the InChIKey of 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile?
The InChIKey is NWZSTAHIOSOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H19F5N8O2S.C25H21F5N6O2S.C24H19F6N7O2S.C23H18F6N8O2S.C21H20F5N7O2S/c1-4-41(39,40)23-19(22-34-18-9-16(12-32-21(18)36(22)2)24(26,27)25(28,29)30)35-20(37(23)3)15-11-33-38(13-15)17-7-5-6-14(8-17)10-31;1-4-41(39,40)23-19(22-34-17-9-16(12-32-21(17)36(22)2)24(26,27)25(28,29)30)35-20(37(23)3)15-11-33-38(13-15)18-8-6-5-7-14(18)10-31;1-4-39(37,38)22-18(34-19(36(22)3)14-5-7-15(8-6-14)23(13-31)9-10-23)21-33-17-11-16(12-32-20(17)35(21)2)24(26,27)25(28,29)30;1-4-40(38,39)22-18(21-33-17-9-14(11-31-20(17)35(21)2)23(26,27)24(28,29)30)34-19(36(22)3)13-10-32-37(12-13)16-7-5-15(25)6-8-16;1-4-40(38,39)21-17(20-33-16-5-13(8-31-19(16)35(20)2)22(25,26)23(27,28)29)34-18(36(21)3)12-7-32-37(11-12)15-6-14(24)9-30-10-15;1-4-36(34,35)19-15(30-16(32(19)3)11-8-28-33(10-11)13-5-6-13)18-29-14-7-12(9-27-17(14)31(18)2)20(22,23)21(24,25)26/h2*5-9,11-13H,4H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3;5-12H,4H2,1-3H3;5-11H,4H2,1-3H3;7-10,13H,4-6H2,1-3H3.
What are the key properties of 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile?
2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile has a molecular weight of 3443.13 g/mol, XLogP of 27.15, 36 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[5-ethylsulfonyl-2-[1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;2-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile;3-[4-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]pyrazol-1-yl]benzonitrile is sourced from PubChem (CID 159909515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).