5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol

C141H135Cl3FN25O9 — CID 158753171

IUPAC5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESCOc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(CO)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(CO)cc2-3)ccc1-n1cnc(C)c1Cl.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(F)cc2-3)ccc1-n1cnc(C)c1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5Cl)c(OC)c4)nnc-3n([C@@H](C)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C35H34ClN5O3.C27H26ClN5O2.C27H27N5O2.C26H24ClN5O.C26H24FN5O/c1-22-6-10-27(11-7-22)24(3)40-18-26(20-44-19-25-8-13-29(42-4)14-9-25)16-30-33(38-39-35(30)40)28-12-15-31(32(17-28)43-5)41-21-37-23(2)34(41)36;1-16-5-7-20(8-6-16)18(3)32-13-19(14-34)11-22-25(30-31-27(22)32)21-9-10-23(24(12-21)35-4)33-15-29-17(2)26(33)28;1-17-5-7-21(8-6-17)19(3)32-14-20(15-33)11-23-26(29-30-27(23)32)22-9-10-24(25(12-22)34-4)31-13-18(2)28-16-31;2*1-16-5-7-19(8-6-16)18(3)32-14-21(27)12-22-25(29-30-26(22)32)20-9-10-23(24(11-20)33-4)31-13-17(2)28-15-31/h6-18,21,24H,19-20H2,1-5H3;5-13,15,18,34H,14H2,1-4H3;5-14,16,19,33H,15H2,1-4H3;2*5-15,18H,1-4H3/t24-;18-;19-;2*18-/m00000/s1
InChIKeyINSUMLFPBPIPTI-ISINCQOASA-N
MW2449.15 g/mol
LogP30.16
Rot. Bonds32

About 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol

5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol (PubChem CID 158753171) has the molecular formula C141H135Cl3FN25O9 and a molecular weight of 2449.15 g/mol. Its IUPAC name is 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol
PubChem CID158753171
Molecular FormulaC141H135Cl3FN25O9
Molecular Weight2449.15 g/mol
Exact Mass2445.99
IUPAC Name5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESCOc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(CO)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(CO)cc2-3)ccc1-n1cnc(C)c1Cl.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(F)cc2-3)ccc1-n1cnc(C)c1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5Cl)c(OC)c4)nnc-3n([C@@H](C)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C35H34ClN5O3.C27H26ClN5O2.C27H27N5O2.C26H24ClN5O.C26H24FN5O/c1-22-6-10-27(11-7-22)24(3)40-18-26(20-44-19-25-8-13-29(42-4)14-9-25)16-30-33(38-39-35(30)40)28-12-15-31(32(17-28)43-5)41-21-37-23(2)34(41)36;1-16-5-7-20(8-6-16)18(3)32-13-19(14-34)11-22-25(30-31-27(22)32)21-9-10-23(24(12-21)35-4)33-15-29-17(2)26(33)28;1-17-5-7-21(8-6-17)19(3)32-14-20(15-33)11-23-26(29-30-27(23)32)22-9-10-24(25(12-22)34-4)31-13-18(2)28-16-31;2*1-16-5-7-19(8-6-16)18(3)32-14-21(27)12-22-25(29-30-26(22)32)20-9-10-23(24(11-20)33-4)31-13-17(2)28-15-31/h6-18,21,24H,19-20H2,1-5H3;5-13,15,18,34H,14H2,1-4H3;5-14,16,19,33H,15H2,1-4H3;2*5-15,18H,1-4H3/t24-;18-;19-;2*18-/m00000/s1
InChIKeyINSUMLFPBPIPTI-ISINCQOASA-N
XLogP30.16
TPSA347.72 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds32
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.15
LogP ≤ 530.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol 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
[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-fluorophenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 42634231
Bis(2-tert-butyl-7-[(4-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(5-fluoro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridine;bis(2-tert-butyl-7-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine);2-tert-butyl-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-7-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 157681198
1-(5-Chloro-2-pyridinyl)-2-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]ethanol;1-[14-(fluoromethyl)-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;1-(14-fluoro-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;2-(14-methyl-6,10,13,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol
CID 157800002
3-(1,1-difluoroethyl)-5-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]methanol;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]methanol;3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 157990559
7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methylpyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 158335812
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
1-[4-[[4-Chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-hydroxy-phenylmethyl]piperidin-1-yl]ethanone;[4-chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 158726490
[4-Chloro-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol;[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-(4-methoxyphenyl)-pyridin-3-ylmethanol;[4-chloro-2-methoxy-3-[(4-pyrrol-1-ylphenyl)methyl]quinolin-6-yl]-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 159020256
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;[6-fluoro-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 159204752
1-(5-Chloro-2-pyridinyl)-2-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-(6-methoxy-3-pyridinyl)propan-2-ol;1-(14-chloro-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ol;2-(14-methyl-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-10-yl)-1-pyridin-4-ylethanol
CID 159294040
N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 159735655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol?
The IUPAC name of 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol (CID 158753171) is 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol.
What is the SMILES notation for 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol?
The canonical SMILES for 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol is COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(CO)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(CO)cc2-3)ccc1-n1cnc(C)c1Cl.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(F)cc2-3)ccc1-n1cnc(C)c1.COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5Cl)c(OC)c4)nnc-3n([C@@H](C)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol?
The InChIKey is INSUMLFPBPIPTI-ISINCQOASA-N. The full InChI is InChI=1S/C35H34ClN5O3.C27H26ClN5O2.C27H27N5O2.C26H24ClN5O.C26H24FN5O/c1-22-6-10-27(11-7-22)24(3)40-18-26(20-44-19-25-8-13-29(42-4)14-9-25)16-30-33(38-39-35(30)40)28-12-15-31(32(17-28)43-5)41-21-37-23(2)34(41)36;1-16-5-7-20(8-6-16)18(3)32-13-19(14-34)11-22-25(30-31-27(22)32)21-9-10-23(24(12-21)35-4)33-15-29-17(2)26(33)28;1-17-5-7-21(8-6-17)19(3)32-14-20(15-33)11-23-26(29-30-27(23)32)22-9-10-24(25(12-22)34-4)31-13-18(2)28-16-31;2*1-16-5-7-19(8-6-16)18(3)32-14-21(27)12-22-25(29-30-26(22)32)20-9-10-23(24(11-20)33-4)31-13-17(2)28-15-31/h6-18,21,24H,19-20H2,1-5H3;5-13,15,18,34H,14H2,1-4H3;5-14,16,19,33H,15H2,1-4H3;2*5-15,18H,1-4H3/t24-;18-;19-;2*18-/m00000/s1.
What are the key properties of 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol?
5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol has a molecular weight of 2449.15 g/mol, XLogP of 30.16, 32 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methoxymethyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol;5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;[3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridin-5-yl]methanol is sourced from PubChem (CID 158753171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).