4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole

C135H124Cl3F7N28O2 — CID 157083168

IUPAC4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCN(C)C1CCC(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.CN1CCC(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.CN1CCC(F)(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Cn1ccc(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)n1.Fc1ccc(-c2ncn(CC3CNCCO3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccon3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C25H26ClFN4.C24H24ClFN4.C23H23F2N5.C22H17ClFN5.C21H20FN5O.C20H14FN5O/c1-30(2)17-7-9-18(10-8-17)31-15-29-24(16-6-11-22(27)21(26)14-16)25(31)20-12-13-28-23-5-3-4-19(20)23;1-29-11-8-16(9-12-29)14-30-15-28-23(17-5-6-21(26)20(25)13-17)24(30)19-7-10-27-22-4-2-3-18(19)22;1-29-12-8-23(25,9-13-29)14-30-15-28-20(16-2-4-17(24)5-3-16)21(30)18-6-10-26-22-19(18)7-11-27-22;1-28-10-8-15(27-28)12-29-13-26-21(14-5-6-19(24)18(23)11-14)22(29)17-7-9-25-20-4-2-3-16(17)20;22-15-3-1-14(2-4-15)19-20(17-5-7-24-21-18(17)6-8-25-21)27(13-26-19)12-16-11-23-9-10-28-16;21-14-3-1-13(2-4-14)18-19(16-5-8-22-20-17(16)6-9-23-20)26(12-24-18)11-15-7-10-27-25-15/h3-4,6,11-15,17-18H,5,7-10H2,1-2H3;2-3,5-7,10,13,15-16H,4,8-9,11-12,14H2,1H3;2-7,10-11,15H,8-9,12-14H2,1H3,(H,26,27);2-3,5-11,13H,4,12H2,1H3;1-8,13,16,23H,9-12H2,(H,24,25);1-10,12H,11H2,(H,22,23)
InChIKeyADUBEKHXGZLFMR-UHFFFAOYSA-N
MW2410.02 g/mol
LogP28.25
Rot. Bonds24

About 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole

4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 157083168) has the molecular formula C135H124Cl3F7N28O2 and a molecular weight of 2410.02 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID157083168
Molecular FormulaC135H124Cl3F7N28O2
Molecular Weight2410.02 g/mol
Exact Mass2406.94
IUPAC Name4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCN(C)C1CCC(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.CN1CCC(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.CN1CCC(F)(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Cn1ccc(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)n1.Fc1ccc(-c2ncn(CC3CNCCO3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccon3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C25H26ClFN4.C24H24ClFN4.C23H23F2N5.C22H17ClFN5.C21H20FN5O.C20H14FN5O/c1-30(2)17-7-9-18(10-8-17)31-15-29-24(16-6-11-22(27)21(26)14-16)25(31)20-12-13-28-23-5-3-4-19(20)23;1-29-11-8-16(9-12-29)14-30-15-28-23(17-5-6-21(26)20(25)13-17)24(30)19-7-10-27-22-4-2-3-18(19)22;1-29-12-8-23(25,9-13-29)14-30-15-28-20(16-2-4-17(24)5-3-16)21(30)18-6-10-26-22-19(18)7-11-27-22;1-28-10-8-15(27-28)12-29-13-26-21(14-5-6-19(24)18(23)11-14)22(29)17-7-9-25-20-4-2-3-16(17)20;22-15-3-1-14(2-4-15)19-20(17-5-7-24-21-18(17)6-8-25-21)27(13-26-19)12-16-11-23-9-10-28-16;21-14-3-1-13(2-4-14)18-19(16-5-8-22-20-17(16)6-9-23-20)26(12-24-18)11-15-7-10-27-25-15/h3-4,6,11-15,17-18H,5,7-10H2,1-2H3;2-3,5-7,10,13,15-16H,4,8-9,11-12,14H2,1H3;2-7,10-11,15H,8-9,12-14H2,1H3,(H,26,27);2-3,5-11,13H,4,12H2,1H3;1-8,13,16,23H,9-12H2,(H,24,25);1-10,12H,11H2,(H,22,23)
InChIKeyADUBEKHXGZLFMR-UHFFFAOYSA-N
XLogP28.25
TPSA306.46 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002410.02
LogP ≤ 528.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

CID 161510535
CID 161510535
2-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]-N,N-dimethylacetamide;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158088844
4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 158274704
4-(2,3-dichlorophenyl)-3-methyl-5-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-c]pyridazin-5-yl)-1,2-oxazole;4-(2,3-difluorophenyl)-5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 158297887
4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-3-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(1-methylimidazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(1R)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 158815402
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine;4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3,5-dimethyl-1,2-oxazole
CID 159862022
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;6-(3,3-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine;2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine;4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]-N-methylpyrimidin-2-amine;4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyrimidin-2-amine
CID 160504745
2-(3-chloro-7H-cyclopenta[b]pyrazin-5-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-7-[4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(1,2-oxazol-5-yl)pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-N,N-diphenylpyrimidin-4-amine;4-[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-[[(2S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-4-yl]morpholine
CID 161606349
4-(2,3-dichlorophenyl)-5-(2-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,2-oxazole;4-(2,3-dichlorophenyl)-5-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;3-[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;3-[3-(2,3-difluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-(2,3-difluorophenyl)-5-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,2-oxazole;3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 161739835

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 157083168) is 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is CN(C)C1CCC(n2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.CN1CCC(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.CN1CCC(F)(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Cn1ccc(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)n1.Fc1ccc(-c2ncn(CC3CNCCO3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccon3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is ADUBEKHXGZLFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4.C24H24ClFN4.C23H23F2N5.C22H17ClFN5.C21H20FN5O.C20H14FN5O/c1-30(2)17-7-9-18(10-8-17)31-15-29-24(16-6-11-22(27)21(26)14-16)25(31)20-12-13-28-23-5-3-4-19(20)23;1-29-11-8-16(9-12-29)14-30-15-28-23(17-5-6-21(26)20(25)13-17)24(30)19-7-10-27-22-4-2-3-18(19)22;1-29-12-8-23(25,9-13-29)14-30-15-28-20(16-2-4-17(24)5-3-16)21(30)18-6-10-26-22-19(18)7-11-27-22;1-28-10-8-15(27-28)12-29-13-26-21(14-5-6-19(24)18(23)11-14)22(29)17-7-9-25-20-4-2-3-16(17)20;22-15-3-1-14(2-4-15)19-20(17-5-7-24-21-18(17)6-8-25-21)27(13-26-19)12-16-11-23-9-10-28-16;21-14-3-1-13(2-4-14)18-19(16-5-8-22-20-17(16)6-9-23-20)26(12-24-18)11-15-7-10-27-25-15/h3-4,6,11-15,17-18H,5,7-10H2,1-2H3;2-3,5-7,10,13,15-16H,4,8-9,11-12,14H2,1H3;2-7,10-11,15H,8-9,12-14H2,1H3,(H,26,27);2-3,5-11,13H,4,12H2,1H3;1-8,13,16,23H,9-12H2,(H,24,25);1-10,12H,11H2,(H,22,23).
What are the key properties of 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole?
4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 2410.02 g/mol, XLogP of 28.25, 24 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]morpholine;3-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 157083168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).