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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine

C145H124F32N40O13S6 — CID 157441359

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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)nc2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cccc(C3(C#N)CC3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cccc(N3CCOCC3)n2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-n2cc(C#N)c(-c3ccc(F)cc3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-n2cc(C#N)c(-c3ccccc3F)c2)n1C
InChIInChI=1S/2C26H19F6N7O2S.C25H21F5N6O2S.C24H24F5N7O3S.C23H21F5N6O2S.C21H20F5N7O2S/c1-4-42(40,41)23-20(22-35-19-9-16(11-34-21(19)37(22)2)25(28,29)26(30,31)32)36-24(38(23)3)39-12-15(10-33)18(13-39)14-5-7-17(27)8-6-14;1-4-42(40,41)23-20(22-35-19-9-15(11-34-21(19)37(22)2)25(28,29)26(30,31)32)36-24(38(23)3)39-12-14(10-33)17(13-39)16-7-5-6-8-18(16)27;1-4-39(37,38)22-18(34-19(36(22)3)14-6-5-7-15(10-14)23(13-31)8-9-23)21-33-17-11-16(12-32-20(17)35(21)2)24(26,27)25(28,29)30;1-4-40(37,38)22-18(21-32-16-12-14(13-30-19(16)34(21)2)23(25,26)24(27,28)29)33-20(35(22)3)15-6-5-7-17(31-15)36-8-10-39-11-9-36;1-4-37(35,36)21-17(32-18(34(21)3)13-7-8-15(29-10-13)12-5-6-12)20-31-16-9-14(11-30-19(16)33(20)2)22(24,25)23(26,27)28;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;5-7,10-12H,4,8-9H2,1-3H3;5-7,12-13H,4,8-11H2,1-3H3;7-12H,4-6H2,1-3H3;7-10,13H,4-6H2,1-3H3
InChIKeyBRSFWWFQRJRJIH-UHFFFAOYSA-N
MW3435.19 g/mol
LogP28.09
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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine

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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine (PubChem CID 157441359) has the molecular formula C145H124F32N40O13S6 and a molecular weight of 3435.19 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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine.

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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine
PubChem CID157441359
Molecular FormulaC145H124F32N40O13S6
Molecular Weight3435.19 g/mol
Exact Mass3432.81
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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)nc2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cccc(C3(C#N)CC3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cccc(N3CCOCC3)n2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-n2cc(C#N)c(-c3ccc(F)cc3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-n2cc(C#N)c(-c3ccccc3F)c2)n1C
InChIInChI=1S/2C26H19F6N7O2S.C25H21F5N6O2S.C24H24F5N7O3S.C23H21F5N6O2S.C21H20F5N7O2S/c1-4-42(40,41)23-20(22-35-19-9-16(11-34-21(19)37(22)2)25(28,29)26(30,31)32)36-24(38(23)3)39-12-15(10-33)18(13-39)14-5-7-17(27)8-6-14;1-4-42(40,41)23-20(22-35-19-9-15(11-34-21(19)37(22)2)25(28,29)26(30,31)32)36-24(38(23)3)39-12-14(10-33)17(13-39)16-7-5-6-8-18(16)27;1-4-39(37,38)22-18(34-19(36(22)3)14-6-5-7-15(10-14)23(13-31)8-9-23)21-33-17-11-16(12-32-20(17)35(21)2)24(26,27)25(28,29)30;1-4-40(37,38)22-18(21-32-16-12-14(13-30-19(16)34(21)2)23(25,26)24(27,28)29)33-20(35(22)3)15-6-5-7-17(31-15)36-8-10-39-11-9-36;1-4-37(35,36)21-17(32-18(34(21)3)13-7-8-15(29-10-13)12-5-6-12)20-31-16-9-14(11-30-19(16)33(20)2)22(24,25)23(26,27)28;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;5-7,10-12H,4,8-9H2,1-3H3;5-7,12-13H,4,8-11H2,1-3H3;7-12H,4-6H2,1-3H3;7-10,13H,4-6H2,1-3H3
InChIKeyBRSFWWFQRJRJIH-UHFFFAOYSA-N
XLogP28.09
TPSA633.32 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds36
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003435.19
LogP ≤ 528.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine?
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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine (CID 157441359) 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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine.
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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine?
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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)nc2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cccc(C3(C#N)CC3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cccc(N3CCOCC3)n2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-n2cc(C#N)c(-c3ccc(F)cc3)c2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-n2cc(C#N)c(-c3ccccc3F)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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine?
The InChIKey is BRSFWWFQRJRJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H19F6N7O2S.C25H21F5N6O2S.C24H24F5N7O3S.C23H21F5N6O2S.C21H20F5N7O2S/c1-4-42(40,41)23-20(22-35-19-9-16(11-34-21(19)37(22)2)25(28,29)26(30,31)32)36-24(38(23)3)39-12-15(10-33)18(13-39)14-5-7-17(27)8-6-14;1-4-42(40,41)23-20(22-35-19-9-15(11-34-21(19)37(22)2)25(28,29)26(30,31)32)36-24(38(23)3)39-12-14(10-33)17(13-39)16-7-5-6-8-18(16)27;1-4-39(37,38)22-18(34-19(36(22)3)14-6-5-7-15(10-14)23(13-31)8-9-23)21-33-17-11-16(12-32-20(17)35(21)2)24(26,27)25(28,29)30;1-4-40(37,38)22-18(21-32-16-12-14(13-30-19(16)34(21)2)23(25,26)24(27,28)29)33-20(35(22)3)15-6-5-7-17(31-15)36-8-10-39-11-9-36;1-4-37(35,36)21-17(32-18(34(21)3)13-7-8-15(29-10-13)12-5-6-12)20-31-16-9-14(11-30-19(16)33(20)2)22(24,25)23(26,27)28;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;5-7,10-12H,4,8-9H2,1-3H3;5-7,12-13H,4,8-11H2,1-3H3;7-12H,4-6H2,1-3H3;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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine?
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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine has a molecular weight of 3435.19 g/mol, XLogP of 28.09, 36 rotatable bonds, 0 hydrogen bond donors, and 53 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-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[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;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 157441359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).