4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one

C177H215Cl2F8N39O7S4 — CID 165068544

IUPAC4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCS(=O)(=O)Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1.Clc1cccc(CC2CCN(c3ccn[nH]3)CC2)c1.Clc1cccc(CC2CCN(c3cn[nH]c3)CC2)c1.FC(F)(F)c1ccnc(C2CCN(c3ccn[nH]3)CC2)c1.FC(F)(F)c1ccnc(C2CCN(c3cn[nH]c3)CC2)c1.Fc1ccccc1SC1CCN(c2cn[nH]c2)CC1.O=C(c1ccc(C2CCN(C3=CC=NC3)CC2)c(F)c1)N1CCCC1.O=C1CCCN1Cc1ccc(C2CCN(C3=CC=NC3)CC2)cc1.O=C1CCCN1Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1.O=S(=O)(c1ccc(C2CCN(c3cn[nH]c3)CC2)cc1)N1CCCC1.c1cnc(SC2CCN(c3cn[nH]c3)CC2)nc1
InChIInChI=1S/C20H24FN3O.C20H25N3O.C19H24N4O.C18H24N4O2S.C16H21N3O2S.2C15H18ClN3.2C14H15F3N4.C14H16FN3S.C12H15N5S/c21-19-13-16(20(25)24-9-1-2-10-24)3-4-18(19)15-6-11-23(12-7-15)17-5-8-22-14-17;24-20-2-1-11-23(20)15-16-3-5-17(6-4-16)18-8-12-22(13-9-18)19-7-10-21-14-19;24-19-2-1-9-23(19)14-15-3-5-16(6-4-15)17-7-10-22(11-8-17)18-12-20-21-13-18;23-25(24,22-9-1-2-10-22)18-5-3-15(4-6-18)16-7-11-21(12-8-16)17-13-19-20-14-17;1-22(20,21)12-13-2-4-14(5-3-13)15-6-8-19(9-7-15)16-10-17-18-11-16;16-14-3-1-2-13(11-14)10-12-5-8-19(9-6-12)15-4-7-17-18-15;16-14-3-1-2-13(9-14)8-12-4-6-19(7-5-12)15-10-17-18-11-15;15-14(16,17)11-1-5-18-12(9-11)10-3-7-21(8-4-10)13-2-6-19-20-13;15-14(16,17)11-1-4-18-13(7-11)10-2-5-21(6-3-10)12-8-19-20-9-12;15-13-3-1-2-4-14(13)19-12-5-7-18(8-6-12)11-9-16-17-10-11;1-4-13-12(14-5-1)18-11-2-6-17(7-3-11)10-8-15-16-9-10/h3-5,8,13,15H,1-2,6-7,9-12,14H2;3-7,10,18H,1-2,8-9,11-15H2;3-6,12-13,17H,1-2,7-11,14H2,(H,20,21);3-6,13-14,16H,1-2,7-12H2,(H,19,20);2-5,10-11,15H,6-9,12H2,1H3,(H,17,18);1-4,7,11-12H,5-6,8-10H2,(H,17,18);1-3,9-12H,4-8H2,(H,17,18);1-2,5-6,9-10H,3-4,7-8H2,(H,19,20);1,4,7-10H,2-3,5-6H2,(H,19,20);1-4,9-10,12H,5-8H2,(H,16,17);1,4-5,8-9,11H,2-3,6-7H2,(H,15,16)
InChIKeySJFOYYZBZAHTGH-UHFFFAOYSA-N
MW3352.09 g/mol
LogP32.73
Rot. Bonds35

About 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one

4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 165068544) has the molecular formula C177H215Cl2F8N39O7S4 and a molecular weight of 3352.09 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
PubChem CID165068544
Molecular FormulaC177H215Cl2F8N39O7S4
Molecular Weight3352.09 g/mol
Exact Mass3348.58
IUPAC Name4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one
SMILESCS(=O)(=O)Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1.Clc1cccc(CC2CCN(c3ccn[nH]3)CC2)c1.Clc1cccc(CC2CCN(c3cn[nH]c3)CC2)c1.FC(F)(F)c1ccnc(C2CCN(c3ccn[nH]3)CC2)c1.FC(F)(F)c1ccnc(C2CCN(c3cn[nH]c3)CC2)c1.Fc1ccccc1SC1CCN(c2cn[nH]c2)CC1.O=C(c1ccc(C2CCN(C3=CC=NC3)CC2)c(F)c1)N1CCCC1.O=C1CCCN1Cc1ccc(C2CCN(C3=CC=NC3)CC2)cc1.O=C1CCCN1Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1.O=S(=O)(c1ccc(C2CCN(c3cn[nH]c3)CC2)cc1)N1CCCC1.c1cnc(SC2CCN(c3cn[nH]c3)CC2)nc1
InChIInChI=1S/C20H24FN3O.C20H25N3O.C19H24N4O.C18H24N4O2S.C16H21N3O2S.2C15H18ClN3.2C14H15F3N4.C14H16FN3S.C12H15N5S/c21-19-13-16(20(25)24-9-1-2-10-24)3-4-18(19)15-6-11-23(12-7-15)17-5-8-22-14-17;24-20-2-1-11-23(20)15-16-3-5-17(6-4-16)18-8-12-22(13-9-18)19-7-10-21-14-19;24-19-2-1-9-23(19)14-15-3-5-16(6-4-15)17-7-10-22(11-8-17)18-12-20-21-13-18;23-25(24,22-9-1-2-10-22)18-5-3-15(4-6-18)16-7-11-21(12-8-16)17-13-19-20-14-17;1-22(20,21)12-13-2-4-14(5-3-13)15-6-8-19(9-7-15)16-10-17-18-11-16;16-14-3-1-2-13(11-14)10-12-5-8-19(9-6-12)15-4-7-17-18-15;16-14-3-1-2-13(9-14)8-12-4-6-19(7-5-12)15-10-17-18-11-15;15-14(16,17)11-1-5-18-12(9-11)10-3-7-21(8-4-10)13-2-6-19-20-13;15-14(16,17)11-1-4-18-13(7-11)10-2-5-21(6-3-10)12-8-19-20-9-12;15-13-3-1-2-4-14(13)19-12-5-7-18(8-6-12)11-9-16-17-10-11;1-4-13-12(14-5-1)18-11-2-6-17(7-3-11)10-8-15-16-9-10/h3-5,8,13,15H,1-2,6-7,9-12,14H2;3-7,10,18H,1-2,8-9,11-15H2;3-6,12-13,17H,1-2,7-11,14H2,(H,20,21);3-6,13-14,16H,1-2,7-12H2,(H,19,20);2-5,10-11,15H,6-9,12H2,1H3,(H,17,18);1-4,7,11-12H,5-6,8-10H2,(H,17,18);1-3,9-12H,4-8H2,(H,17,18);1-2,5-6,9-10H,3-4,7-8H2,(H,19,20);1,4,7-10H,2-3,5-6H2,(H,19,20);1-4,9-10,12H,5-8H2,(H,16,17);1,4-5,8-9,11H,2-3,6-7H2,(H,15,16)
InChIKeySJFOYYZBZAHTGH-UHFFFAOYSA-N
XLogP32.73
TPSA502.49 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003352.09
LogP ≤ 532.73
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(5-chloro-2-pyridinyl)-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-(5-chloro-3-pyridinyl)-6-ethyl-5-fluoro-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;6-ethyl-5-fluoro-1-(5-methylpyrimidin-2-yl)-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;6-ethyl-5-fluoro-1-pyridazin-3-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;6-ethyl-5-fluoro-1-pyridin-4-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
CID 161598130
N-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[3-(2,3-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 157280631
2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-pyridin-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-thiophen-3-ylsulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]-4-methylbenzamide
CID 159076329
4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluorophenyl]-N-methylbenzamide;5-chloro-2-N-[2-fluoro-5-methyl-4-(4-methylsulfonylphenyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]benzenesulfonamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzenesulfonamide
CID 159236127
5-(6-amino-3-pyridinyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-8-amine;2-chloro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(3-fluoro-4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 160142191
2-(4-chlorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2,5-dichloro-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)thiophene-3-carboxamide;3-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;2-(pyridin-2-ylmethylsulfanyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylamino)propanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 160199142
2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide
CID 161163394
(3R)-3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-(4-chlorophenyl)sulfonyl-1-[4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;(3R)-3-(4-fluorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one;2-(4-fluorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 162205009

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one (CID 165068544) is 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one is CS(=O)(=O)Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1.Clc1cccc(CC2CCN(c3ccn[nH]3)CC2)c1.Clc1cccc(CC2CCN(c3cn[nH]c3)CC2)c1.FC(F)(F)c1ccnc(C2CCN(c3ccn[nH]3)CC2)c1.FC(F)(F)c1ccnc(C2CCN(c3cn[nH]c3)CC2)c1.Fc1ccccc1SC1CCN(c2cn[nH]c2)CC1.O=C(c1ccc(C2CCN(C3=CC=NC3)CC2)c(F)c1)N1CCCC1.O=C1CCCN1Cc1ccc(C2CCN(C3=CC=NC3)CC2)cc1.O=C1CCCN1Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1.O=S(=O)(c1ccc(C2CCN(c3cn[nH]c3)CC2)cc1)N1CCCC1.c1cnc(SC2CCN(c3cn[nH]c3)CC2)nc1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is SJFOYYZBZAHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O.C20H25N3O.C19H24N4O.C18H24N4O2S.C16H21N3O2S.2C15H18ClN3.2C14H15F3N4.C14H16FN3S.C12H15N5S/c21-19-13-16(20(25)24-9-1-2-10-24)3-4-18(19)15-6-11-23(12-7-15)17-5-8-22-14-17;24-20-2-1-11-23(20)15-16-3-5-17(6-4-16)18-8-12-22(13-9-18)19-7-10-21-14-19;24-19-2-1-9-23(19)14-15-3-5-16(6-4-15)17-7-10-22(11-8-17)18-12-20-21-13-18;23-25(24,22-9-1-2-10-22)18-5-3-15(4-6-18)16-7-11-21(12-8-16)17-13-19-20-14-17;1-22(20,21)12-13-2-4-14(5-3-13)15-6-8-19(9-7-15)16-10-17-18-11-16;16-14-3-1-2-13(11-14)10-12-5-8-19(9-6-12)15-4-7-17-18-15;16-14-3-1-2-13(9-14)8-12-4-6-19(7-5-12)15-10-17-18-11-15;15-14(16,17)11-1-5-18-12(9-11)10-3-7-21(8-4-10)13-2-6-19-20-13;15-14(16,17)11-1-4-18-13(7-11)10-2-5-21(6-3-10)12-8-19-20-9-12;15-13-3-1-2-4-14(13)19-12-5-7-18(8-6-12)11-9-16-17-10-11;1-4-13-12(14-5-1)18-11-2-6-17(7-3-11)10-8-15-16-9-10/h3-5,8,13,15H,1-2,6-7,9-12,14H2;3-7,10,18H,1-2,8-9,11-15H2;3-6,12-13,17H,1-2,7-11,14H2,(H,20,21);3-6,13-14,16H,1-2,7-12H2,(H,19,20);2-5,10-11,15H,6-9,12H2,1H3,(H,17,18);1-4,7,11-12H,5-6,8-10H2,(H,17,18);1-3,9-12H,4-8H2,(H,17,18);1-2,5-6,9-10H,3-4,7-8H2,(H,19,20);1,4,7-10H,2-3,5-6H2,(H,19,20);1-4,9-10,12H,5-8H2,(H,16,17);1,4-5,8-9,11H,2-3,6-7H2,(H,15,16).
What are the key properties of 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one?
4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 3352.09 g/mol, XLogP of 32.73, 35 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)piperidine;4-[(3-chlorophenyl)methyl]-1-(1H-pyrazol-5-yl)piperidine;4-(2-fluorophenyl)sulfanyl-1-(1H-pyrazol-4-yl)piperidine;[3-fluoro-4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone;4-[4-(methylsulfonylmethyl)phenyl]-1-(1H-pyrazol-4-yl)piperidine;1-[[4-[1-(1H-pyrazol-4-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]sulfanylpyrimidine;2-[1-(1H-pyrazol-4-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;2-[1-(1H-pyrazol-5-yl)piperidin-4-yl]-4-(trifluoromethyl)pyridine;1-(1H-pyrazol-4-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine;1-[[4-[1-(2H-pyrrol-3-yl)piperidin-4-yl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 165068544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).