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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone

C129H176ClF4N27O11S — CID 158350305

IUPACN-[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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone
SMILESCCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(C)c(Cl)c4)c3C)CC2)CC1.Cc1c(NCC2CCN(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCC2Cc3ccccc3C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2F)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1ccc(CNc2ncnc(C(=O)N3CCC(N4CCC(O)CC4)CC3)c2C)cc1C
InChIInChI=1S/C27H39ClN6O3S.C27H38N6O2.C26H35N5O2.C25H35N5O2.C24H29F4N5O2/c1-5-38(36,37)32(4)22-8-12-33(13-9-22)23-10-14-34(15-11-23)27(35)25-20(3)26(31-18-30-25)29-17-21-7-6-19(2)24(28)16-21;1-20-25(27(35)32-13-8-23(9-14-32)31-15-10-24(34)11-16-31)29-19-30-26(20)28-17-21-7-12-33(18-21)22-5-3-2-4-6-22;1-18-24(26(33)31-10-6-22(7-11-31)30-12-8-23(32)9-13-30)28-17-29-25(18)27-16-19-14-20-4-2-3-5-21(20)15-19;1-17-4-5-20(14-18(17)2)15-26-24-19(3)23(27-16-28-24)25(32)30-10-6-21(7-11-30)29-12-8-22(31)9-13-29;1-15-21(23(35)33-8-4-18(5-9-33)32-10-6-19(34)7-11-32)30-14-31-22(15)29-13-16-2-3-17(12-20(16)25)24(26,27)28/h6-7,16,18,22-23H,5,8-15,17H2,1-4H3,(H,29,30,31);2-6,19,21,23-24,34H,7-18H2,1H3,(H,28,29,30);2-5,17,19,22-23,32H,6-16H2,1H3,(H,27,28,29);4-5,14,16,21-22,31H,6-13,15H2,1-3H3,(H,26,27,28);2-3,12,14,18-19,34H,4-11,13H2,1H3,(H,29,30,31)
InChIKeyGSFQBFDCUZCMGG-UHFFFAOYSA-N
MW2424.52 g/mol
LogP15.86
Rot. Bonds29

About 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone

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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone (PubChem CID 158350305) has the molecular formula C129H176ClF4N27O11S and a molecular weight of 2424.52 g/mol. Its IUPAC name is 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound NameN-[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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone
PubChem CID158350305
Molecular FormulaC129H176ClF4N27O11S
Molecular Weight2424.52 g/mol
Exact Mass2422.34
IUPAC NameN-[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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone
SMILESCCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(C)c(Cl)c4)c3C)CC2)CC1.Cc1c(NCC2CCN(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCC2Cc3ccccc3C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2F)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1ccc(CNc2ncnc(C(=O)N3CCC(N4CCC(O)CC4)CC3)c2C)cc1C
InChIInChI=1S/C27H39ClN6O3S.C27H38N6O2.C26H35N5O2.C25H35N5O2.C24H29F4N5O2/c1-5-38(36,37)32(4)22-8-12-33(13-9-22)23-10-14-34(15-11-23)27(35)25-20(3)26(31-18-30-25)29-17-21-7-6-19(2)24(28)16-21;1-20-25(27(35)32-13-8-23(9-14-32)31-15-10-24(34)11-16-31)29-19-30-26(20)28-17-21-7-12-33(18-21)22-5-3-2-4-6-22;1-18-24(26(33)31-10-6-22(7-11-31)30-12-8-23(32)9-13-30)28-17-29-25(18)27-16-19-14-20-4-2-3-5-21(20)15-19;1-17-4-5-20(14-18(17)2)15-26-24-19(3)23(27-16-28-24)25(32)30-10-6-21(7-11-30)29-12-8-22(31)9-13-29;1-15-21(23(35)33-8-4-18(5-9-33)32-10-6-19(34)7-11-32)30-14-31-22(15)29-13-16-2-3-17(12-20(16)25)24(26,27)28/h6-7,16,18,22-23H,5,8-15,17H2,1-4H3,(H,29,30,31);2-6,19,21,23-24,34H,7-18H2,1H3,(H,28,29,30);2-5,17,19,22-23,32H,6-16H2,1H3,(H,27,28,29);4-5,14,16,21-22,31H,6-13,15H2,1-3H3,(H,26,27,28);2-3,12,14,18-19,34H,4-11,13H2,1H3,(H,29,30,31)
InChIKeyGSFQBFDCUZCMGG-UHFFFAOYSA-N
XLogP15.86
TPSA428.34 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002424.52
LogP ≤ 515.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[6-[3-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[6-[3-(4-fluorophenyl)piperidin-1-yl]-5-methylpyrimidin-4-yl]-[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-(4-methylphenyl)piperidin-1-yl]pyrimidin-4-yl]methanone;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[4-(3-methylphenyl)piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 157614895
[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
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-[2-(3-chlorophenyl)piperidin-1-yl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[4-[(3-methoxyoxan-4-yl)amino]piperidin-1-yl]-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-[1-[1-[5-methyl-6-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 159138704
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
[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
[6-[2-(3-Chloro-4-methylphenyl)ethyl]-5-methylpyrimidin-4-yl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone;[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-yl]methanone;[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-(3-phenylpropyl)pyrimidin-4-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[2-(1-phenylpiperidin-3-yl)ethyl]pyrimidin-4-yl]methanone;[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-[5-methyl-6-[(1-phenylpiperidin-4-yl)methylamino]pyrimidin-4-yl]methanone
CID 161406368

Frequently Asked Questions

What is the IUPAC name of 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?
The IUPAC name of 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone (CID 158350305) is 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone.
What is the SMILES notation for 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?
The canonical SMILES for 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone is CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(C)c(Cl)c4)c3C)CC2)CC1.Cc1c(NCC2CCN(c3ccccc3)C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCC2Cc3ccccc3C2)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1c(NCc2ccc(C(F)(F)F)cc2F)ncnc1C(=O)N1CCC(N2CCC(O)CC2)CC1.Cc1ccc(CNc2ncnc(C(=O)N3CCC(N4CCC(O)CC4)CC3)c2C)cc1C.
What is the InChIKey of 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?
The InChIKey is GSFQBFDCUZCMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39ClN6O3S.C27H38N6O2.C26H35N5O2.C25H35N5O2.C24H29F4N5O2/c1-5-38(36,37)32(4)22-8-12-33(13-9-22)23-10-14-34(15-11-23)27(35)25-20(3)26(31-18-30-25)29-17-21-7-6-19(2)24(28)16-21;1-20-25(27(35)32-13-8-23(9-14-32)31-15-10-24(34)11-16-31)29-19-30-26(20)28-17-21-7-12-33(18-21)22-5-3-2-4-6-22;1-18-24(26(33)31-10-6-22(7-11-31)30-12-8-23(32)9-13-30)28-17-29-25(18)27-16-19-14-20-4-2-3-5-21(20)15-19;1-17-4-5-20(14-18(17)2)15-26-24-19(3)23(27-16-28-24)25(32)30-10-6-21(7-11-30)29-12-8-22(31)9-13-29;1-15-21(23(35)33-8-4-18(5-9-33)32-10-6-19(34)7-11-32)30-14-31-22(15)29-13-16-2-3-17(12-20(16)25)24(26,27)28/h6-7,16,18,22-23H,5,8-15,17H2,1-4H3,(H,29,30,31);2-6,19,21,23-24,34H,7-18H2,1H3,(H,28,29,30);2-5,17,19,22-23,32H,6-16H2,1H3,(H,27,28,29);4-5,14,16,21-22,31H,6-13,15H2,1-3H3,(H,26,27,28);2-3,12,14,18-19,34H,4-11,13H2,1H3,(H,29,30,31).
What are the key properties of 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone?
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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone has a molecular weight of 2424.52 g/mol, XLogP of 15.86, 29 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[(1-phenylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 158350305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).