3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine

C136H130Cl2F4N20O14 — CID 158093627

IUPAC3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(COCc2cc(C(=NN)c3ccc(-n4cnc(C)c4)c(OC)c3)c(=O)n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc(C(=NN)c3ccc(-n4cnc(C)c4Cl)c(OC)c3)c(=O)n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5Cl)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C34H33ClFN5O4.C34H31ClFN5O3.C34H34FN5O4.C34H32FN5O3/c1-21-33(35)41(20-38-21)30-14-9-26(16-31(30)44-4)32(39-37)29-15-24(19-45-18-23-5-12-28(43-3)13-6-23)17-40(34(29)42)22(2)25-7-10-27(36)11-8-25;1-21-33(35)41(20-37-21)30-14-9-26(16-31(30)43-4)32-29-15-24(19-44-18-23-5-12-28(42-3)13-6-23)17-40(34(29)39-38-32)22(2)25-7-10-27(36)11-8-25;1-22-17-39(21-37-22)31-14-9-27(16-32(31)43-4)33(38-36)30-15-25(20-44-19-24-5-12-29(42-3)13-6-24)18-40(34(30)41)23(2)26-7-10-28(35)11-8-26;1-22-17-39(21-36-22)31-14-9-27(16-32(31)42-4)33-30-15-25(20-43-19-24-5-12-29(41-3)13-6-24)18-40(34(30)38-37-33)23(2)26-7-10-28(35)11-8-26/h5-17,20,22H,18-19,37H2,1-4H3;5-17,20,22H,18-19H2,1-4H3;5-18,21,23H,19-20,36H2,1-4H3;5-18,21,23H,19-20H2,1-4H3/t2*22-;2*23-/m0000/s1
InChIKeyFOKGFUHGOAAVJN-GFUBQCLPSA-N
MW2415.56 g/mol
LogP26.43
Rot. Bonds42

About 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine

3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine (PubChem CID 158093627) has the molecular formula C136H130Cl2F4N20O14 and a molecular weight of 2415.56 g/mol. Its IUPAC name is 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine
PubChem CID158093627
Molecular FormulaC136H130Cl2F4N20O14
Molecular Weight2415.56 g/mol
Exact Mass2412.94
IUPAC Name3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(COCc2cc(C(=NN)c3ccc(-n4cnc(C)c4)c(OC)c3)c(=O)n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc(C(=NN)c3ccc(-n4cnc(C)c4Cl)c(OC)c3)c(=O)n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5Cl)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C34H33ClFN5O4.C34H31ClFN5O3.C34H34FN5O4.C34H32FN5O3/c1-21-33(35)41(20-38-21)30-14-9-26(16-31(30)44-4)32(39-37)29-15-24(19-45-18-23-5-12-28(43-3)13-6-23)17-40(34(29)42)22(2)25-7-10-27(36)11-8-25;1-21-33(35)41(20-37-21)30-14-9-26(16-31(30)43-4)32-29-15-24(19-44-18-23-5-12-28(42-3)13-6-23)17-40(34(29)39-38-32)22(2)25-7-10-27(36)11-8-25;1-22-17-39(21-37-22)31-14-9-27(16-32(31)43-4)33(38-36)30-15-25(20-44-19-24-5-12-29(42-3)13-6-24)18-40(34(30)41)23(2)26-7-10-28(35)11-8-26;1-22-17-39(21-36-22)31-14-9-27(16-32(31)42-4)33-30-15-25(20-43-19-24-5-12-29(41-3)13-6-24)18-40(34(30)38-37-33)23(2)26-7-10-28(35)11-8-26/h5-17,20,22H,18-19,37H2,1-4H3;5-17,20,22H,18-19H2,1-4H3;5-18,21,23H,19-20,36H2,1-4H3;5-18,21,23H,19-20H2,1-4H3/t2*22-;2*23-/m0000/s1
InChIKeyFOKGFUHGOAAVJN-GFUBQCLPSA-N
XLogP26.43
TPSA364.22 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002415.56
LogP ≤ 526.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine
CID 42634227
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(4-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
CID 157988270
5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-morpholin-4-ylpropanamide;2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-5-[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158575134
5-chloro-7-[1-(3,5-difluoro-4-methylphenyl)butyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[(1R)-1-(2,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;7-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 160194623
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide
CID 161126038
5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 161325696
5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 161405161
7-[1-(3,5-difluoro-4-methylphenyl)butyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)propyl]pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(4-methylphenyl)propyl]pyrazolo[3,4-b]pyridine
CID 161548705
1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one;[2-[3,5-bis(trifluoromethyl)phenyl]-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,3-dihydropyrazolo[3,4-b]pyridin-7-yl]ethoxy]-tert-butyl-dimethylsilane;7-[1-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]-5-chloro-3-[(E)-C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]pyridin-2-one
CID 172923145
N-[[2-(4-tert-butylphenyl)-6-(18F)fluoroimidazo[1,2-b]pyridazin-3-yl]methyl](18F)benzamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6-chloro-2-(6-(18F)fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6,8-dichloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6,8-dichloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;N,N-diethyl-2-[2-[4-(3-(18F)fluoropropoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157654913
N-[[2-(4-tert-butylphenyl)-6-fluoroimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6-chloro-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6,8-dichloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6,8-dichloro-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;N,N-diethyl-2-[2-[4-(3-fluoropropoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157654914
2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;N,N-diethyl-2-[2-[4-(2-(18F)fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157807120

Frequently Asked Questions

What is the IUPAC name of 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine (CID 158093627) is 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine is COc1ccc(COCc2cc(C(=NN)c3ccc(-n4cnc(C)c4)c(OC)c3)c(=O)n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc(C(=NN)c3ccc(-n4cnc(C)c4Cl)c(OC)c3)c(=O)n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5Cl)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine?
The InChIKey is FOKGFUHGOAAVJN-GFUBQCLPSA-N. The full InChI is InChI=1S/C34H33ClFN5O4.C34H31ClFN5O3.C34H34FN5O4.C34H32FN5O3/c1-21-33(35)41(20-38-21)30-14-9-26(16-31(30)44-4)32(39-37)29-15-24(19-45-18-23-5-12-28(43-3)13-6-23)17-40(34(29)42)22(2)25-7-10-27(36)11-8-25;1-21-33(35)41(20-37-21)30-14-9-26(16-31(30)43-4)32-29-15-24(19-44-18-23-5-12-28(42-3)13-6-23)17-40(34(29)39-38-32)22(2)25-7-10-27(36)11-8-25;1-22-17-39(21-37-22)31-14-9-27(16-32(31)43-4)33(38-36)30-15-25(20-44-19-24-5-12-29(42-3)13-6-24)18-40(34(30)41)23(2)26-7-10-28(35)11-8-26;1-22-17-39(21-36-22)31-14-9-27(16-32(31)42-4)33-30-15-25(20-43-19-24-5-12-29(41-3)13-6-24)18-40(34(30)38-37-33)23(2)26-7-10-28(35)11-8-26/h5-17,20,22H,18-19,37H2,1-4H3;5-17,20,22H,18-19H2,1-4H3;5-18,21,23H,19-20,36H2,1-4H3;5-18,21,23H,19-20H2,1-4H3/t2*22-;2*23-/m0000/s1.
What are the key properties of 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine?
3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine has a molecular weight of 2415.56 g/mol, XLogP of 26.43, 42 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]carbonohydrazonoyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine;1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[C-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]carbonohydrazonoyl]-5-[(4-methoxyphenyl)methoxymethyl]pyridin-2-one;7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158093627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).