4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate

C114H105F5N22O4 — CID 160564818

IUPAC4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate
SMILESCC1(C)CC(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)C1.CNC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.COC(=O)C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Fc1ccc(-c2ncn(CC3CCCO3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C24H23FN4O2.C23H23FN6O.C23H23FN4.C23H17FN4.C21H19FN4O/c1-31-24(30)16-4-8-18(9-5-16)29-14-28-21(15-2-6-17(25)7-3-15)22(29)19-10-12-26-23-20(19)11-13-27-23;1-25-23(31)29-12-8-17(9-13-29)30-14-28-20(15-2-4-16(24)5-3-15)21(30)18-6-10-26-22-19(18)7-11-27-22;1-23(2)11-15(12-23)13-28-14-27-20(16-3-5-17(24)6-4-16)21(28)18-7-9-25-22-19(18)8-10-26-22;24-18-8-6-17(7-9-18)21-22(19-10-12-25-23-20(19)11-13-26-23)28(15-27-21)14-16-4-2-1-3-5-16;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h2-3,6-7,10-14,16,18H,4-5,8-9H2,1H3,(H,26,27);2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,25,31)(H,26,27);3-10,14-15H,11-13H2,1-2H3,(H,25,26);1-13,15H,14H2,(H,25,26);3-10,13,16H,1-2,11-12H2,(H,23,24)
InChIKeyQZTXOBYHZSPBOK-UHFFFAOYSA-N
MW1942.23 g/mol
LogP24.71
Rot. Bonds19

About 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate

4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate (PubChem CID 160564818) has the molecular formula C114H105F5N22O4 and a molecular weight of 1942.23 g/mol. Its IUPAC name is 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate
PubChem CID160564818
Molecular FormulaC114H105F5N22O4
Molecular Weight1942.23 g/mol
Exact Mass1940.86
IUPAC Name4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate
SMILESCC1(C)CC(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)C1.CNC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.COC(=O)C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Fc1ccc(-c2ncn(CC3CCCO3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C24H23FN4O2.C23H23FN6O.C23H23FN4.C23H17FN4.C21H19FN4O/c1-31-24(30)16-4-8-18(9-5-16)29-14-28-21(15-2-6-17(25)7-3-15)22(29)19-10-12-26-23-20(19)11-13-27-23;1-25-23(31)29-12-8-17(9-13-29)30-14-28-20(15-2-4-16(24)5-3-15)21(30)18-6-10-26-22-19(18)7-11-27-22;1-23(2)11-15(12-23)13-28-14-27-20(16-3-5-17(24)6-4-16)21(28)18-7-9-25-22-19(18)8-10-26-22;24-18-8-6-17(7-9-18)21-22(19-10-12-25-23-20(19)11-13-26-23)28(15-27-21)14-16-4-2-1-3-5-16;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h2-3,6-7,10-14,16,18H,4-5,8-9H2,1H3,(H,26,27);2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,25,31)(H,26,27);3-10,14-15H,11-13H2,1-2H3,(H,25,26);1-13,15H,14H2,(H,25,26);3-10,13,16H,1-2,11-12H2,(H,23,24)
InChIKeyQZTXOBYHZSPBOK-UHFFFAOYSA-N
XLogP24.71
TPSA300.37 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001942.23
LogP ≤ 524.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate 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

1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
(2S)-2-[[2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]amino]-3-phenylpropanoic acid
CID 142462928
2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158206586
5-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine;5-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-amine;1-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;4-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-5-yl]-N-(2,2,2-trifluoroethyl)morpholine-3-carboxamide;(2S)-1-[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 158705365
N-[(2S)-1-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-3-methoxybut-3-en-2-yl]-2,6-difluoro-4-[(2R)-2-(trifluoromethyl)piperidin-1-yl]benzamide;N-[(2S)-3-[8-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-5-yl]-1-(methylamino)-1-oxopropan-2-yl]-2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[1-methyl-2-oxo-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158902902
N-(cyclopropylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;4-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 159397925
N-(cyclopropylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 160671617
7-[[6-[(dimethylamino)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[(3-hydroxyazetidin-1-yl)methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 161632807
(2S,3S)-3-[[4-[5-(1,1-difluoroethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-isocyanopyrimidin-2-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;1-[(6R)-7-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]-6-bicyclo[3.2.2]nonanyl]ethanone;6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyridin-2-amine;6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-N-[(3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyridin-2-amine;(2R,3R)-3-[[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 161673498
methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[5,6-dimethyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-[4-methyl-3-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 162063641
methyl (2S)-2-[[2-[2-[3-[2-(4-acetamido-2,6-difluorophenyl)-3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-7-yl]propanoylamino]-1H-imidazol-5-yl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 166774905
CID 157139112
CID 157139112

Frequently Asked Questions

What is the IUPAC name of 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate (CID 160564818) is 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate is CC1(C)CC(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)C1.CNC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.COC(=O)C1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Fc1ccc(-c2ncn(CC3CCCO3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccccc3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate?
The InChIKey is QZTXOBYHZSPBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2.C23H23FN6O.C23H23FN4.C23H17FN4.C21H19FN4O/c1-31-24(30)16-4-8-18(9-5-16)29-14-28-21(15-2-6-17(25)7-3-15)22(29)19-10-12-26-23-20(19)11-13-27-23;1-25-23(31)29-12-8-17(9-13-29)30-14-28-20(15-2-4-16(24)5-3-15)21(30)18-6-10-26-22-19(18)7-11-27-22;1-23(2)11-15(12-23)13-28-14-27-20(16-3-5-17(24)6-4-16)21(28)18-7-9-25-22-19(18)8-10-26-22;24-18-8-6-17(7-9-18)21-22(19-10-12-25-23-20(19)11-13-26-23)28(15-27-21)14-16-4-2-1-3-5-16;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h2-3,6-7,10-14,16,18H,4-5,8-9H2,1H3,(H,26,27);2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,25,31)(H,26,27);3-10,14-15H,11-13H2,1-2H3,(H,25,26);1-13,15H,14H2,(H,25,26);3-10,13,16H,1-2,11-12H2,(H,23,24).
What are the key properties of 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate?
4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate has a molecular weight of 1942.23 g/mol, XLogP of 24.71, 19 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(3,3-dimethylcyclobutyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N-methylpiperidine-1-carboxamide;methyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 160564818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).