6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine

C120H116ClF3N18O5S — CID 159151189

IUPAC6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine
SMILESCc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(Cl)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(NS(C)(=O)=O)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(OC(F)(F)F)c3)C4)CC2)nc1-c1ccccc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc6c(c5)OCCO6)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C31H31N5O2.C30H27F3N4O.C30H31N5O2S.C29H27ClN4/c1-19-3-5-21(6-4-19)24-15-25-26(16-24)32-18-33-31(25)36-11-9-22(10-12-36)30-34-20(2)29(35-30)23-7-8-27-28(17-23)38-14-13-37-27;1-19-28(20-6-3-2-4-7-20)36-29(35-19)21-11-14-37(15-12-21)27-10-13-34-26-18-23(17-25(26)27)22-8-5-9-24(16-22)38-30(31,32)33;1-20-29(21-7-4-3-5-8-21)33-30(32-20)22-12-15-35(16-13-22)28-11-14-31-27-19-24(18-26(27)28)23-9-6-10-25(17-23)34-38(2,36)37;1-19-28(20-6-3-2-4-7-20)33-29(32-19)21-11-14-34(15-12-21)27-10-13-31-26-18-23(17-25(26)27)22-8-5-9-24(30)16-22/h3-8,15,17-18,22H,9-14,16H2,1-2H3,(H,34,35);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,35,36);3-11,14,17-18,22,34H,12-13,15-16,19H2,1-2H3,(H,32,33);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,32,33)
InChIKeyKJHSUFPSXQLHFR-UHFFFAOYSA-N
MW2014.88 g/mol
LogP25.44
Rot. Bonds19

About 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine

6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine (PubChem CID 159151189) has the molecular formula C120H116ClF3N18O5S and a molecular weight of 2014.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine
PubChem CID159151189
Molecular FormulaC120H116ClF3N18O5S
Molecular Weight2014.88 g/mol
Exact Mass2012.87
IUPAC Name6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine
SMILESCc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(Cl)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(NS(C)(=O)=O)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(OC(F)(F)F)c3)C4)CC2)nc1-c1ccccc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc6c(c5)OCCO6)c(C)[nH]4)CC3)C2)cc1
InChIInChI=1S/C31H31N5O2.C30H27F3N4O.C30H31N5O2S.C29H27ClN4/c1-19-3-5-21(6-4-19)24-15-25-26(16-24)32-18-33-31(25)36-11-9-22(10-12-36)30-34-20(2)29(35-30)23-7-8-27-28(17-23)38-14-13-37-27;1-19-28(20-6-3-2-4-7-20)36-29(35-19)21-11-14-37(15-12-21)27-10-13-34-26-18-23(17-25(26)27)22-8-5-9-24(16-22)38-30(31,32)33;1-20-29(21-7-4-3-5-8-21)33-30(32-20)22-12-15-35(16-13-22)28-11-14-31-27-19-24(18-26(27)28)23-9-6-10-25(17-23)34-38(2,36)37;1-19-28(20-6-3-2-4-7-20)33-29(32-19)21-11-14-34(15-12-21)27-10-13-31-26-18-23(17-25(26)27)22-8-5-9-24(30)16-22/h3-8,15,17-18,22H,9-14,16H2,1-2H3,(H,34,35);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,35,36);3-11,14,17-18,22,34H,12-13,15-16,19H2,1-2H3,(H,32,33);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,32,33)
InChIKeyKJHSUFPSXQLHFR-UHFFFAOYSA-N
XLogP25.44
TPSA265.99 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002014.88
LogP ≤ 525.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

N-[3-[7-[4-[2-[1-[7-[3-[2-[1-[6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1H-imidazol-5-yl]phenyl]-6-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1H-imidazol-5-yl]phenyl]-4-[4-(4-methyl-5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 130455758
3-[2-[4-(aminomethyl)phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol;4-[2-[1-(aminomethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine;4-[3-[1-(3-aminopropyl)pyridin-1-ium-4-yl]-5-(4-fluorophenyl)-1H-imidazol-3-ium-4-yl]pyrimidin-2-amine;[4-[4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine;3-[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]propan-1-amine
CID 159415470
4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-[4-(1-fluoroethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile;4-[4-[4-[4-(6-methoxy-3-pyridinyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
CID 159742136
4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;6-(1,3-dimethylpyrazol-4-yl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 160132701
6-(3-methoxyphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 161016439
4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[4-(4-methylphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161753275
4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine
CID 162087210
1-[3-chloro-5-[4-[cyclohexyl(methyl)amino]-6-(3-cyclopropyl-4-pyridinyl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[4-(2,2-difluoroethyl)piperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(1,4-dimethylimidazol-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-[cyclohexyl(methyl)amino]-6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 157757924
4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine
CID 158017512
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;6-(6-methoxy-3-pyridinyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]acetamide
CID 159624971
4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine
CID 160105337
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-4-[6-(6-methyl-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-[(1S)-1-[3-(1-fluoroethoxy)phenyl]ethyl]-2,2-dimethyl-4-[6-(6-methyl-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;(2R)-N-[(1S)-1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methyl-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide;N-[(1S)-1-(3-fluorophenyl)ethyl]-2,2-dimethyl-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 160908396

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine (CID 159151189) is 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine is Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(Cl)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(NS(C)(=O)=O)c3)C4)CC2)nc1-c1ccccc1.Cc1[nH]c(C2CCN(c3ccnc4c3C=C(c3cccc(OC(F)(F)F)c3)C4)CC2)nc1-c1ccccc1.Cc1ccc(C2=Cc3c(ncnc3N3CCC(c4nc(-c5ccc6c(c5)OCCO6)c(C)[nH]4)CC3)C2)cc1.
What is the InChIKey of 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine?
The InChIKey is KJHSUFPSXQLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2.C30H27F3N4O.C30H31N5O2S.C29H27ClN4/c1-19-3-5-21(6-4-19)24-15-25-26(16-24)32-18-33-31(25)36-11-9-22(10-12-36)30-34-20(2)29(35-30)23-7-8-27-28(17-23)38-14-13-37-27;1-19-28(20-6-3-2-4-7-20)36-29(35-19)21-11-14-37(15-12-21)27-10-13-34-26-18-23(17-25(26)27)22-8-5-9-24(16-22)38-30(31,32)33;1-20-29(21-7-4-3-5-8-21)33-30(32-20)22-12-15-35(16-13-22)28-11-14-31-27-19-24(18-26(27)28)23-9-6-10-25(17-23)34-38(2,36)37;1-19-28(20-6-3-2-4-7-20)33-29(32-19)21-11-14-34(15-12-21)27-10-13-31-26-18-23(17-25(26)27)22-8-5-9-24(30)16-22/h3-8,15,17-18,22H,9-14,16H2,1-2H3,(H,34,35);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,35,36);3-11,14,17-18,22,34H,12-13,15-16,19H2,1-2H3,(H,32,33);2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,32,33).
What are the key properties of 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine?
6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine has a molecular weight of 2014.88 g/mol, XLogP of 25.44, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridine;4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;N-[3-[4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]phenyl]methanesulfonamide;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[3-(trifluoromethoxy)phenyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159151189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).