5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C88H65F4N11O9 — CID 158473702

IUPAC5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1OC.Cc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.Cc1noc(C)c1-c1cnc2[nH]cc(-c3ccoc3)c2c1.FC(F)(F)Oc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C19H16N2O3.C18H11F3N2O2.C18H14N2O.C17H11FN2O.C16H13N3O2/c1-22-17-4-3-12(8-18(17)23-2)14-7-15-16(13-5-6-24-11-13)10-21-19(15)20-9-14;19-18(20,21)25-14-3-1-2-11(6-14)13-7-15-16(12-4-5-24-10-12)9-23-17(15)22-8-13;1-12-2-4-13(5-3-12)15-8-16-17(14-6-7-21-11-14)10-20-18(16)19-9-15;18-14-3-1-11(2-4-14)13-7-15-16(12-5-6-21-10-12)9-20-17(15)19-8-13;1-9-15(10(2)21-19-9)12-5-13-14(11-3-4-20-8-11)7-18-16(13)17-6-12/h3-11H,1-2H3,(H,20,21);1-10H,(H,22,23);2-11H,1H3,(H,19,20);1-10H,(H,19,20);3-8H,1-2H3,(H,17,18)
InChIKeyHGQZSVABBSXDNO-UHFFFAOYSA-N
MW1496.55 g/mol
LogP23.42
Rot. Bonds13

About 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158473702) has the molecular formula C88H65F4N11O9 and a molecular weight of 1496.55 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID158473702
Molecular FormulaC88H65F4N11O9
Molecular Weight1496.55 g/mol
Exact Mass1495.49
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1OC.Cc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.Cc1noc(C)c1-c1cnc2[nH]cc(-c3ccoc3)c2c1.FC(F)(F)Oc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
InChIInChI=1S/C19H16N2O3.C18H11F3N2O2.C18H14N2O.C17H11FN2O.C16H13N3O2/c1-22-17-4-3-12(8-18(17)23-2)14-7-15-16(13-5-6-24-11-13)10-21-19(15)20-9-14;19-18(20,21)25-14-3-1-2-11(6-14)13-7-15-16(12-4-5-24-10-12)9-23-17(15)22-8-13;1-12-2-4-13(5-3-12)15-8-16-17(14-6-7-21-11-14)10-20-18(16)19-9-15;18-14-3-1-11(2-4-14)13-7-15-16(12-5-6-21-10-12)9-20-17(15)19-8-13;1-9-15(10(2)21-19-9)12-5-13-14(11-3-4-20-8-11)7-18-16(13)17-6-12/h3-11H,1-2H3,(H,20,21);1-10H,(H,22,23);2-11H,1H3,(H,19,20);1-10H,(H,19,20);3-8H,1-2H3,(H,17,18)
InChIKeyHGQZSVABBSXDNO-UHFFFAOYSA-N
XLogP23.42
TPSA262.82 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001496.55
LogP ≤ 523.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine 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

5-(4-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluoro-4-methylphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158413761
5-(2-butoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;tert-butyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrole-1-carboxylate;5-(3-chlorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 159428448
6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-methylpyridine-3-carboxamide;6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid;4-[3-[(4,4-difluorocyclohexyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;ethyl 6-[3-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylate
CID 160499171
12-(3,4-Difluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(furan-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-methylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 160564823
5-bromo-3-iodo-1-(oxan-4-yl)pyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;4-[5-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;methyl 4-[5-bromo-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate;methyl 4-[5-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate
CID 161356981
5-(6-Cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
CID 161458722
2-[6-[3-(2,2-difluoroethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one;2-[6-[3-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one;2-[6-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one;2-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one;2-[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one;2-[6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one;2-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one;3-methyl-2-[6-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;3-methyl-2-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one
CID 167575501
N-methyl-2-(4-methylphenyl)-5-[6-methyl-5-[[1,1,1-trideuterio-2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-3-pyridinyl]-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;N-methyl-2-(4-methylphenyl)-5-[6-methyl-5-[[1,1,1-trideuterio-2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;N-methyl-2-(4-methylphenyl)-5-[6-methyl-5-[[1,1,1-trideuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-3-pyridinyl]-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide;N-methyl-2-(4-methylphenyl)-5-[6-methyl-5-[[1,1,1-trideuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 157195776
4-(2,3-difluorophenyl)-5-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;4-(2,3-difluorophenyl)-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole;N-[4-[3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;4-(2,3-difluorophenyl)-5-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
CID 157412115
5-fluoro-2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;5-[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-4-yl]-1,2-oxazole;2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-phenylpyrimidin-4-amine;2-(6-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 157504179
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]morpholine;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]piperazine-1-carbaldehyde;4-[4-(6-fluoro-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(furan-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-piperazin-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158316386
N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)
CID 158478347

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 158473702) is 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1OC.Cc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.Cc1noc(C)c1-c1cnc2[nH]cc(-c3ccoc3)c2c1.FC(F)(F)Oc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1.Fc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HGQZSVABBSXDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3.C18H11F3N2O2.C18H14N2O.C17H11FN2O.C16H13N3O2/c1-22-17-4-3-12(8-18(17)23-2)14-7-15-16(13-5-6-24-11-13)10-21-19(15)20-9-14;19-18(20,21)25-14-3-1-2-11(6-14)13-7-15-16(12-4-5-24-10-12)9-23-17(15)22-8-13;1-12-2-4-13(5-3-12)15-8-16-17(14-6-7-21-11-14)10-20-18(16)19-9-15;18-14-3-1-11(2-4-14)13-7-15-16(12-5-6-21-10-12)9-20-17(15)19-8-13;1-9-15(10(2)21-19-9)12-5-13-14(11-3-4-20-8-11)7-18-16(13)17-6-12/h3-11H,1-2H3,(H,20,21);1-10H,(H,22,23);2-11H,1H3,(H,19,20);1-10H,(H,19,20);3-8H,1-2H3,(H,17,18).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1496.55 g/mol, XLogP of 23.42, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158473702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).