3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one

C153H129F12N39O8 — CID 157239467

IUPAC3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one
SMILESCC(n1ccnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2nnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CCC(C)n1ccnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCC(C)n1ccnc1-c1cccc(-n2nnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C27H25N5O2.C26H21F3N6O.C26H20F3N5O2.C25H20F3N7O.C25H24N8O.C24H19F3N8O/c1-3-17(2)32-12-11-28-27(32)23-6-4-5-22(30-23)21-15-34-25-10-9-19(13-20(25)26(21)33)31-14-24(29-16-31)18-7-8-18;1-16(26(27,28)29)34-12-10-30-24(34)21-3-2-4-23(32-21)35-11-9-17-7-8-19(13-20(17)25(35)36)33-14-22(31-15-33)18-5-6-18;1-15(26(27,28)29)34-10-9-30-25(34)21-4-2-3-20(32-21)19-13-36-23-8-7-17(11-18(23)24(19)35)33-12-22(31-14-33)16-5-6-16;1-15(25(26,27)28)34-10-9-29-23(34)20-3-2-4-22(32-20)35-14-31-19-8-7-17(11-18(19)24(35)36)33-12-21(30-13-33)16-5-6-16;1-3-16(2)32-12-11-26-24(32)21-5-4-6-23(28-21)33-25(34)19-13-18(9-10-20(19)29-30-33)31-14-22(27-15-31)17-7-8-17;1-14(24(25,26)27)34-10-9-28-22(34)19-3-2-4-21(30-19)35-23(36)17-11-16(7-8-18(17)31-32-35)33-12-20(29-13-33)15-5-6-15/h4-6,9-18H,3,7-8H2,1-2H3;2-4,7-16,18H,5-6H2,1H3;2*2-4,7-16H,5-6H2,1H3;4-6,9-17H,3,7-8H2,1-2H3;2-4,7-15H,5-6H2,1H3
InChIKeyAVANRMKEJCGDBJ-UHFFFAOYSA-N
MW2869.96 g/mol
LogP30.22
Rot. Bonds32

About 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one

3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one (PubChem CID 157239467) has the molecular formula C153H129F12N39O8 and a molecular weight of 2869.96 g/mol. Its IUPAC name is 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one
PubChem CID157239467
Molecular FormulaC153H129F12N39O8
Molecular Weight2869.96 g/mol
Exact Mass2868.07
IUPAC Name3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one
SMILESCC(n1ccnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2nnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CCC(C)n1ccnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCC(C)n1ccnc1-c1cccc(-n2nnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1
InChIInChI=1S/C27H25N5O2.C26H21F3N6O.C26H20F3N5O2.C25H20F3N7O.C25H24N8O.C24H19F3N8O/c1-3-17(2)32-12-11-28-27(32)23-6-4-5-22(30-23)21-15-34-25-10-9-19(13-20(25)26(21)33)31-14-24(29-16-31)18-7-8-18;1-16(26(27,28)29)34-12-10-30-24(34)21-3-2-4-23(32-21)35-11-9-17-7-8-19(13-20(17)25(35)36)33-14-22(31-15-33)18-5-6-18;1-15(26(27,28)29)34-10-9-30-25(34)21-4-2-3-20(32-21)19-13-36-23-8-7-17(11-18(23)24(19)35)33-12-22(31-14-33)16-5-6-16;1-15(25(26,27)28)34-10-9-29-23(34)20-3-2-4-22(32-20)35-14-31-19-8-7-17(11-18(19)24(35)36)33-12-21(30-13-33)16-5-6-16;1-3-16(2)32-12-11-26-24(32)21-5-4-6-23(28-21)33-25(34)19-13-18(9-10-20(19)29-30-33)31-14-22(27-15-31)17-7-8-17;1-14(24(25,26)27)34-10-9-28-22(34)19-3-2-4-21(30-19)35-23(36)17-11-16(7-8-18(17)31-32-35)33-12-20(29-13-33)15-5-6-15/h4-6,9-18H,3,7-8H2,1-2H3;2-4,7-16,18H,5-6H2,1H3;2*2-4,7-16H,5-6H2,1H3;4-6,9-17H,3,7-8H2,1-2H3;2-4,7-15H,5-6H2,1H3
InChIKeyAVANRMKEJCGDBJ-UHFFFAOYSA-N
XLogP30.22
TPSA504.05 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds32
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002869.96
LogP ≤ 530.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one with MolForge

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Related Compounds

2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158062369
CID 158330078
CID 158330078
(3-Fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158636683
[2-(1,4-Dimethylpyrazol-5-yl)-6-methoxyphenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyridin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158713820
(4-Methoxy-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159227561
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-[(6-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[2-[(6-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159605337
(5-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-methoxy-6-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 160211313
(3-Fluoro-2-methoxyphenyl)-[2-[(5-fluoro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-fluoro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 160312030
4-[6-(1-Butan-2-ylimidazol-2-yl)-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)-2,3-dihydro-1,4-benzoxazepin-5-one;7-(4-cyclopropylimidazol-1-yl)-6-(3-hydroxyprop-1-ynyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-(3-morpholin-4-ylprop-1-ynyl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one;7-(4-cyclopropylimidazol-1-yl)-4-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one;7-(4-cyclopropylimidazol-1-yl)-4-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 160567535
2-[6-[1-(1-Acetylpyrrolidin-3-yl)imidazol-2-yl]-2-pyridinyl]-7-(4-cyclopropylimidazol-1-yl)phthalazin-1-one;7-(4-cyclopropylimidazol-1-yl)-6-fluoro-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinazolin-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-(1-pyrrolidin-3-ylimidazol-2-yl)-2-pyridinyl]phthalazin-1-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]phthalazin-1-one
CID 160714189
3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-2,3-dihydrochromen-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)quinazolin-4-one;6-(4-cyclopropylimidazol-1-yl)-1-methyl-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]quinolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-quinolin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one
CID 161080601

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one?
The IUPAC name of 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one (CID 157239467) is 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one.
What is the SMILES notation for 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one?
The canonical SMILES for 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one is CC(n1ccnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2ccc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2cnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CC(n1ccnc1-c1cccc(-n2nnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1)C(F)(F)F.CCC(C)n1ccnc1-c1cccc(-c2coc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.CCC(C)n1ccnc1-c1cccc(-n2nnc3ccc(-n4cnc(C5CC5)c4)cc3c2=O)n1.
What is the InChIKey of 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one?
The InChIKey is AVANRMKEJCGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C26H21F3N6O.C26H20F3N5O2.C25H20F3N7O.C25H24N8O.C24H19F3N8O/c1-3-17(2)32-12-11-28-27(32)23-6-4-5-22(30-23)21-15-34-25-10-9-19(13-20(25)26(21)33)31-14-24(29-16-31)18-7-8-18;1-16(26(27,28)29)34-12-10-30-24(34)21-3-2-4-23(32-21)35-11-9-17-7-8-19(13-20(17)25(35)36)33-14-22(31-15-33)18-5-6-18;1-15(26(27,28)29)34-10-9-30-25(34)21-4-2-3-20(32-21)19-13-36-23-8-7-17(11-18(23)24(19)35)33-12-22(31-14-33)16-5-6-16;1-15(25(26,27)28)34-10-9-29-23(34)20-3-2-4-22(32-20)35-14-31-19-8-7-17(11-18(19)24(35)36)33-12-21(30-13-33)16-5-6-16;1-3-16(2)32-12-11-26-24(32)21-5-4-6-23(28-21)33-25(34)19-13-18(9-10-20(19)29-30-33)31-14-22(27-15-31)17-7-8-17;1-14(24(25,26)27)34-10-9-28-22(34)19-3-2-4-21(30-19)35-23(36)17-11-16(7-8-18(17)31-32-35)33-12-20(29-13-33)15-5-6-15/h4-6,9-18H,3,7-8H2,1-2H3;2-4,7-16,18H,5-6H2,1H3;2*2-4,7-16H,5-6H2,1H3;4-6,9-17H,3,7-8H2,1-2H3;2-4,7-15H,5-6H2,1H3.
What are the key properties of 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one?
3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one has a molecular weight of 2869.96 g/mol, XLogP of 30.22, 32 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 157239467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).