N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide

C178H138N16O14 — CID 158003625

IUPACN-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NC1CCCCC1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1
InChIInChI=1S/C33H25N3O2.C32H29N3O2.C32H23N3O2.C29H25N3O2.2C26H18N2O3/c37-33(36-20-23-9-3-1-4-10-23)25-17-15-24(16-18-25)30-22-35-32-29(30)19-26(21-34-32)28-13-7-8-14-31(28)38-27-11-5-2-6-12-27;2*36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20;29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20/h1-19,21-22H,20H2,(H,34,35)(H,36,37);2,5-8,11-21,25H,1,3-4,9-10H2,(H,33,34)(H,35,36);1-21H,(H,33,34)(H,35,36);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);2*1-16H,(H,27,28)(H,29,30)
InChIKeyFEAHNBMFFMYKLP-UHFFFAOYSA-N
MW2725.16 g/mol
LogP42.92
Rot. Bonds36

About N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide

N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (PubChem CID 158003625) has the molecular formula C178H138N16O14 and a molecular weight of 2725.16 g/mol. Its IUPAC name is N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
PubChem CID158003625
Molecular FormulaC178H138N16O14
Molecular Weight2725.16 g/mol
Exact Mass2723.06
IUPAC NameN-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NC1CCCCC1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1
InChIInChI=1S/C33H25N3O2.C32H29N3O2.C32H23N3O2.C29H25N3O2.2C26H18N2O3/c37-33(36-20-23-9-3-1-4-10-23)25-17-15-24(16-18-25)30-22-35-32-29(30)19-26(21-34-32)28-13-7-8-14-31(28)38-27-11-5-2-6-12-27;2*36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20;29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20/h1-19,21-22H,20H2,(H,34,35)(H,36,37);2,5-8,11-21,25H,1,3-4,9-10H2,(H,33,34)(H,35,36);1-21H,(H,33,34)(H,35,36);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);2*1-16H,(H,27,28)(H,29,30)
InChIKeyFEAHNBMFFMYKLP-UHFFFAOYSA-N
XLogP42.92
TPSA418.46 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002725.16
LogP ≤ 542.92
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide with MolForge

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Related Compounds

5-[5-fluoro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]oxy-5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-[4-(2,2,2-trifluoroacetyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 160501095
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 90701143
N-propyl-4-[[4-[3,3,3-tris(3-oxospiro[2-benzofuran-1,9'-xanthene]-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 126482420
2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);iridium(3+);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;bis(2-phenylpyridine);2-phenyl-2H-pyridin-1-ide;2-phenyl-4-pyridin-2-ylpyridine
CID 157186099
3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methylphenyl)propyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)
CID 157223279
5-dibenzofuran-4-yl-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(2-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperazin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-[2-(piperidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanol;4-[[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]morpholine;methyl 2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylfuran-2-carboxamide
CID 157233000
5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[5-(7H-cyclopenta[b]pyridin-3-yl)-6-propan-2-yl-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;6-[6-(3-hydroxy-3-methylbut-1-ynyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[6-(2-methoxy-4-pyridinyl)-2-propan-2-yl-3-pyridinyl]-2,3-dihydroinden-1-one;6-[5-(3-oxo-1,2-dihydroinden-5-yl)-6-propan-2-yl-3-pyridinyl]-2,3-dihydroisoindol-1-one
CID 157253793
N-(cyclopropylmethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-methoxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-pyridin-3-ylbenzamide
CID 157338888
ethyl 4-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]benzoate;[3-(3-hydroxyphenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-(4-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide;[2-methyl-3-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 157368765
N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclopropyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-(2-hydroxyethyl)-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
CID 157413435
(E)-N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-fluoro-2-methylphenyl]-4-(dimethylamino)but-2-enamide;(E)-3-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-fluoro-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-fluoro-2-methylphenyl]prop-2-enamide;(E)-N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-fluoro-2-methylphenyl]-2,4,4-trimethylpent-2-enamide;(E)-3-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluorophenyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide;(E)-N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-fluorophenyl]-2,4,4-trimethylpent-2-enamide
CID 157490841
N-[3-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[3-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetamide;N-[4-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetamide;3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide;N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 157554262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
The IUPAC name of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide (CID 158003625) is N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NC1CCCCC1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(NCc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(Nc1ccccc1)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.O=C(O)c1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.
What is the InChIKey of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
The InChIKey is FEAHNBMFFMYKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2.C32H29N3O2.C32H23N3O2.C29H25N3O2.2C26H18N2O3/c37-33(36-20-23-9-3-1-4-10-23)25-17-15-24(16-18-25)30-22-35-32-29(30)19-26(21-34-32)28-13-7-8-14-31(28)38-27-11-5-2-6-12-27;2*36-32(35-25-9-3-1-4-10-25)23-17-15-22(16-18-23)29-21-34-31-28(29)19-24(20-33-31)27-13-7-8-14-30(27)37-26-11-5-2-6-12-26;1-2-16-30-29(33)21-14-12-20(13-15-21)26-19-32-28-25(26)17-22(18-31-28)24-10-6-7-11-27(24)34-23-8-4-3-5-9-23;29-26(30)18-8-6-7-17(13-18)23-16-28-25-22(23)14-19(15-27-25)21-11-4-5-12-24(21)31-20-9-2-1-3-10-20;29-26(30)18-12-10-17(11-13-18)23-16-28-25-22(23)14-19(15-27-25)21-8-4-5-9-24(21)31-20-6-2-1-3-7-20/h1-19,21-22H,20H2,(H,34,35)(H,36,37);2,5-8,11-21,25H,1,3-4,9-10H2,(H,33,34)(H,35,36);1-21H,(H,33,34)(H,35,36);3-15,17-19H,2,16H2,1H3,(H,30,33)(H,31,32);2*1-16H,(H,27,28)(H,29,30).
What are the key properties of N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide?
N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide has a molecular weight of 2725.16 g/mol, XLogP of 42.92, 36 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-cyclohexyl-4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-phenylbenzamide;4-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide is sourced from PubChem (CID 158003625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).