2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C61H60F9N19O6S4 — CID 157496966

IUPAC2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)s2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2cncn2C2CC2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C
InChIInChI=1S/C21H20F3N5O2S2.2C20H20F3N7O2S/c1-4-33(30,31)20-16(27-18(29(20)3)15-8-7-14(32-15)11-5-6-11)19-26-13-9-12(21(22,23)24)10-25-17(13)28(19)2;1-4-33(31,32)19-15(27-16(29(19)3)11-8-25-30(10-11)13-5-6-13)18-26-14-7-12(20(21,22)23)9-24-17(14)28(18)2;1-4-33(31,32)19-15(27-17(29(19)3)14-9-24-10-30(14)12-5-6-12)18-26-13-7-11(20(21,22)23)8-25-16(13)28(18)2/h7-11H,4-6H2,1-3H3;7-10,13H,4-6H2,1-3H3;7-10,12H,4-6H2,1-3H3
InChIKeyBXYIMJNCLORDGT-UHFFFAOYSA-N
MW1454.53 g/mol
LogP11.55
Rot. Bonds15

About 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 157496966) has the molecular formula C61H60F9N19O6S4 and a molecular weight of 1454.53 g/mol. Its IUPAC name is 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID157496966
Molecular FormulaC61H60F9N19O6S4
Molecular Weight1454.53 g/mol
Exact Mass1453.37
IUPAC Name2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)s2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2cncn2C2CC2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C
InChIInChI=1S/C21H20F3N5O2S2.2C20H20F3N7O2S/c1-4-33(30,31)20-16(27-18(29(20)3)15-8-7-14(32-15)11-5-6-11)19-26-13-9-12(21(22,23)24)10-25-17(13)28(19)2;1-4-33(31,32)19-15(27-16(29(19)3)11-8-25-30(10-11)13-5-6-13)18-26-14-7-12(20(21,22)23)9-24-17(14)28(18)2;1-4-33(31,32)19-15(27-17(29(19)3)14-9-24-10-30(14)12-5-6-12)18-26-13-7-11(20(21,22)23)8-25-16(13)28(18)2/h7-11H,4-6H2,1-3H3;7-10,13H,4-6H2,1-3H3;7-10,12H,4-6H2,1-3H3
InChIKeyBXYIMJNCLORDGT-UHFFFAOYSA-N
XLogP11.55
TPSA283.65 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.53
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

5-Cyclopropyl-2-[3-ethylsulfonyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 121245097
2-[6-[2-[2-[6-(3-Fluoropropylsulfinyl)-5-methyl-1-propan-2-ylpyrazolo[3,4-b]pyrazin-3-yl]pyridin-1-ium-1-yl]cyclopropyl]sulfinyl-1-phenylimidazo[4,5-c]pyridin-2-yl]-1,3-thiazole
CID 123165114
2-[3-Ethylsulfonyl-5-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438512
2-[3-Ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 137404632
2-[3-Ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 139433941
2-(3-Ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine
CID 139444876
2-(3-Ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 139444921
2-[3-Ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 139444985
2-(3-Ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 139445017
2-(6-Cyclopropyl-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 141722419
2-[2-(3-Cyclopropylpyrazol-1-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 146289368
2-[2-(3-Cyclopropylpyrazol-1-yl)-5-ethylsulfinyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 146290125

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 157496966) is 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)s2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2cncn2C2CC2)n1C.CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2cnn(C3CC3)c2)n1C.
What is the InChIKey of 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is BXYIMJNCLORDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2S2.2C20H20F3N7O2S/c1-4-33(30,31)20-16(27-18(29(20)3)15-8-7-14(32-15)11-5-6-11)19-26-13-9-12(21(22,23)24)10-25-17(13)28(19)2;1-4-33(31,32)19-15(27-16(29(19)3)11-8-25-30(10-11)13-5-6-13)18-26-14-7-12(20(21,22)23)9-24-17(14)28(18)2;1-4-33(31,32)19-15(27-17(29(19)3)14-9-24-10-30(14)12-5-6-12)18-26-13-7-11(20(21,22)23)8-25-16(13)28(18)2/h7-11H,4-6H2,1-3H3;7-10,13H,4-6H2,1-3H3;7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 1454.53 g/mol, XLogP of 11.55, 15 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopropylimidazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-[2-(5-cyclopropylthiophen-2-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 157496966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).