N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C162H214Cl5F9N30O16S4 — CID 159985774

IUPACN-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(F)(F)F)c(Cl)c4)c3C)CC2)C1.CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(F)c4)c3C)CC2)C1.Cc1c(CCc2ccc(Cl)c(F)c2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1nc(CC2CCCC(c3ccccc3)C2)c(C)c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)n1.Cc1nc(CCc2ccc(C(F)(F)F)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1.Cc1nc(CCc2ccc(Cl)c(F)c2)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C31H45N5O3S.C28H37ClF3N5O3S.C27H37ClFN5O3S.C26H31ClF3N5O2.C25H33ClFN5O3S.C25H31ClFN5O2/c1-22-29(21-24-8-7-11-26(20-24)25-9-5-4-6-10-25)32-23(2)33-30(22)31(37)36-18-14-28(15-19-36)35-16-12-27(13-17-35)34-40(3,38)39;1-18-25(8-6-20-5-7-23(24(29)17-20)28(30,31)32)33-19(2)34-26(18)27(38)37-15-11-22(12-16-37)36-13-9-21(10-14-36)35(3)41(4,39)40;1-18-25(8-6-20-5-7-23(28)24(29)17-20)30-19(2)31-26(18)27(35)34-15-11-22(12-16-34)33-13-9-21(10-14-33)32(3)38(4,36)37;1-16-22(6-4-17-3-5-20(21(27)13-17)26(28,29)30)32-15-33-23(16)25(37)34-11-8-19(9-12-34)35-10-7-18(14-35)24(36)31-2;1-17-23(6-4-18-3-5-21(26)22(27)15-18)28-16-29-24(17)25(33)32-13-9-20(10-14-32)31-11-7-19(8-12-31)30-36(2,34)35;1-16-22(6-4-17-3-5-20(26)21(27)13-17)29-15-30-23(16)25(34)31-11-8-19(9-12-31)32-10-7-18(14-32)24(33)28-2/h4-6,9-10,24,26-28,34H,7-8,11-21H2,1-3H3;5,7,17,21-22H,6,8-16H2,1-4H3;5,7,17,21-22H,6,8-16H2,1-4H3;3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,31,36);3,5,15-16,19-20,30H,4,6-14H2,1-2H3;3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,28,33)/t;;;18-;;18-/m...1.1/s1
InChIKeyOGHWNBFAMYTEHC-WHKSMNKPSA-N
MW3314.20 g/mol
LogP22.30
Rot. Bonds40

About N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 159985774) has the molecular formula C162H214Cl5F9N30O16S4 and a molecular weight of 3314.20 g/mol. Its IUPAC name is N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID159985774
Molecular FormulaC162H214Cl5F9N30O16S4
Molecular Weight3314.20 g/mol
Exact Mass3309.40
IUPAC NameN-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(F)(F)F)c(Cl)c4)c3C)CC2)C1.CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(F)c4)c3C)CC2)C1.Cc1c(CCc2ccc(Cl)c(F)c2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1nc(CC2CCCC(c3ccccc3)C2)c(C)c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)n1.Cc1nc(CCc2ccc(C(F)(F)F)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1.Cc1nc(CCc2ccc(Cl)c(F)c2)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1
InChIInChI=1S/C31H45N5O3S.C28H37ClF3N5O3S.C27H37ClFN5O3S.C26H31ClF3N5O2.C25H33ClFN5O3S.C25H31ClFN5O2/c1-22-29(21-24-8-7-11-26(20-24)25-9-5-4-6-10-25)32-23(2)33-30(22)31(37)36-18-14-28(15-19-36)35-16-12-27(13-17-35)34-40(3,38)39;1-18-25(8-6-20-5-7-23(24(29)17-20)28(30,31)32)33-19(2)34-26(18)27(38)37-15-11-22(12-16-37)36-13-9-21(10-14-36)35(3)41(4,39)40;1-18-25(8-6-20-5-7-23(28)24(29)17-20)30-19(2)31-26(18)27(35)34-15-11-22(12-16-34)33-13-9-21(10-14-33)32(3)38(4,36)37;1-16-22(6-4-17-3-5-20(21(27)13-17)26(28,29)30)32-15-33-23(16)25(37)34-11-8-19(9-12-34)35-10-7-18(14-35)24(36)31-2;1-17-23(6-4-18-3-5-21(26)22(27)15-18)28-16-29-24(17)25(33)32-13-9-20(10-14-32)31-11-7-19(8-12-31)30-36(2,34)35;1-16-22(6-4-17-3-5-20(26)21(27)13-17)29-15-30-23(16)25(34)31-11-8-19(9-12-31)32-10-7-18(14-32)24(33)28-2/h4-6,9-10,24,26-28,34H,7-8,11-21H2,1-3H3;5,7,17,21-22H,6,8-16H2,1-4H3;5,7,17,21-22H,6,8-16H2,1-4H3;3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,31,36);3,5,15-16,19-20,30H,4,6-14H2,1-2H3;3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,28,33)/t;;;18-;;18-/m...1.1/s1
InChIKeyOGHWNBFAMYTEHC-WHKSMNKPSA-N
XLogP22.30
TPSA521.28 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds40
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003314.20
LogP ≤ 522.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Analyze N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 157809697
[6-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-chloro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide
CID 158147658
[6-[3-(4-Tert-butylphenyl)propyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-(3-chloro-4-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[6-[3-(3,4-difluorophenyl)propyl]-5-methylpyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[5-methyl-6-[2-(3-phenylcyclohexyl)ethyl]pyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone;[5-methyl-6-[2-(1-phenylpiperidin-4-yl)ethyl]pyrimidin-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 158835075
N-[1-[1-[6-[2-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(1-phenylpiperidin-4-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[2-(1-phenylpyrrolidin-3-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[2-(1-phenylpyrrolidin-3-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 159062595
N-[1-[1-[6-[4-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[4-(4-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-(4-phenylpiperidin-1-yl)pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 159157731
N-[1-[1-[6-[(3-chloro-4-methylphenyl)methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(2,3-dihydro-1H-inden-2-ylmethylamino)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[(3,4-dimethylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(4-phenylcyclohexyl)methyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone
CID 159691551
[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3,4-difluorophenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[6-[2-(3-fluoro-4-methylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[5-methyl-6-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 160031761
N-[1-[1-[6-[3-(4-chlorophenyl)pyrrolidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[3-(2-fluorophenyl)pyrrolidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 160172118
6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)-4-methylphenyl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-4-methyl-3H-pyrrol-5-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-prop-1-en-2-ylpiperidin-3-yl)phenyl]-8-ethyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161483600
[6-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[6-[2-(3-chloro-4-methylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;N-[1-[1-[6-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-chloro-4-(trifluoromethyl)phenyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;[6-(cyclohexylmethyl)-5-methylpyrimidin-4-yl]-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]pyrimidin-4-yl]methanone
CID 161826561
3-chloro-4-[(2S)-3-[[3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]-2-fluorobenzamide;3-chloro-4-[(2S)-3-[[(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-pyrrolidin-1-ylpropyl]benzamide;3-chloro-4-[(2S)-3-[[(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanoyl]amino]-2-pyrrolidin-1-ylpropyl]benzamide
CID 167677367
N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;N-[1-[1-[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[(1-phenylpiperidin-3-yl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]ethanesulfonamide
CID 158348828

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 159985774) is N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(C(F)(F)F)c(Cl)c4)c3C)CC2)C1.CNC(=O)[C@@H]1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(F)c4)c3C)CC2)C1.Cc1c(CCc2ccc(Cl)c(F)c2)ncnc1C(=O)N1CCC(N2CCC(NS(C)(=O)=O)CC2)CC1.Cc1nc(CC2CCCC(c3ccccc3)C2)c(C)c(C(=O)N2CCC(N3CCC(NS(C)(=O)=O)CC3)CC2)n1.Cc1nc(CCc2ccc(C(F)(F)F)c(Cl)c2)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1.Cc1nc(CCc2ccc(Cl)c(F)c2)c(C)c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)n1.
What is the InChIKey of N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is OGHWNBFAMYTEHC-WHKSMNKPSA-N. The full InChI is InChI=1S/C31H45N5O3S.C28H37ClF3N5O3S.C27H37ClFN5O3S.C26H31ClF3N5O2.C25H33ClFN5O3S.C25H31ClFN5O2/c1-22-29(21-24-8-7-11-26(20-24)25-9-5-4-6-10-25)32-23(2)33-30(22)31(37)36-18-14-28(15-19-36)35-16-12-27(13-17-35)34-40(3,38)39;1-18-25(8-6-20-5-7-23(24(29)17-20)28(30,31)32)33-19(2)34-26(18)27(38)37-15-11-22(12-16-37)36-13-9-21(10-14-36)35(3)41(4,39)40;1-18-25(8-6-20-5-7-23(28)24(29)17-20)30-19(2)31-26(18)27(35)34-15-11-22(12-16-34)33-13-9-21(10-14-33)32(3)38(4,36)37;1-16-22(6-4-17-3-5-20(21(27)13-17)26(28,29)30)32-15-33-23(16)25(37)34-11-8-19(9-12-34)35-10-7-18(14-35)24(36)31-2;1-17-23(6-4-18-3-5-21(26)22(27)15-18)28-16-29-24(17)25(33)32-13-9-20(10-14-32)31-11-7-19(8-12-31)30-36(2,34)35;1-16-22(6-4-17-3-5-20(26)21(27)13-17)29-15-30-23(16)25(34)31-11-8-19(9-12-31)32-10-7-18(14-32)24(33)28-2/h4-6,9-10,24,26-28,34H,7-8,11-21H2,1-3H3;5,7,17,21-22H,6,8-16H2,1-4H3;5,7,17,21-22H,6,8-16H2,1-4H3;3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,31,36);3,5,15-16,19-20,30H,4,6-14H2,1-2H3;3,5,13,15,18-19H,4,6-12,14H2,1-2H3,(H,28,33)/t;;;18-;;18-/m...1.1/s1.
What are the key properties of N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 3314.20 g/mol, XLogP of 22.30, 40 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[6-[2-(4-chloro-3-fluorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;(3R)-1-[1-[6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide;N-[1-[1-[2,5-dimethyl-6-[(3-phenylcyclohexyl)methyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 159985774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).