N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C147H216F4N30O15S5 — CID 161281825

IUPACN-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1c(CCC2CCc3ccccc32)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCCc2cn(C)c3ccccc23)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCCCC2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCN(c3ccc(C(F)(F)F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C31H44F3N7O3S.C31H45FN6O3S.C30H42N6O3S.C29H41N5O3S.C26H44N6O3S/c1-22-28(30(42)40-17-12-27(13-18-40)39-15-10-25(11-16-39)38(2)45(3,43)44)36-21-37-29(22)35-19-23-5-4-14-41(20-23)26-8-6-24(7-9-26)31(32,33)34;1-22-29(31(39)38-17-13-28(14-18-38)37-15-11-27(12-16-37)36(2)42(3,40)41)34-21-35-30(22)33-20-23-5-4-6-25(19-23)24-7-9-26(32)10-8-24;1-22-27(10-7-8-23-20-33(2)28-11-6-5-9-26(23)28)31-21-32-29(22)30(37)36-18-14-25(15-19-36)35-16-12-24(13-17-35)34(3)40(4,38)39;1-21-27(11-10-23-9-8-22-6-4-5-7-26(22)23)30-20-31-28(21)29(35)34-18-14-25(15-19-34)33-16-12-24(13-17-33)32(2)38(3,36)37;1-20-24(28-19-29-25(20)27-18-21-8-6-4-5-7-9-21)26(33)32-16-12-23(13-17-32)31-14-10-22(11-15-31)30(2)36(3,34)35/h6-9,21,23,25,27H,4-5,10-20H2,1-3H3,(H,35,36,37);7-10,21,23,25,27-28H,4-6,11-20H2,1-3H3,(H,33,34,35);5-6,9,11,20-21,24-25H,7-8,10,12-19H2,1-4H3;4-7,20,23-25H,8-19H2,1-3H3;19,21-23H,4-18H2,1-3H3,(H,27,28,29)
InChIKeyVFEQTFHCIWURIS-UHFFFAOYSA-N
MW2879.87 g/mol
LogP18.31
Rot. Bonds38

About N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 161281825) has the molecular formula C147H216F4N30O15S5 and a molecular weight of 2879.87 g/mol. Its IUPAC name is N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID161281825
Molecular FormulaC147H216F4N30O15S5
Molecular Weight2879.87 g/mol
Exact Mass2877.56
IUPAC NameN-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCc1c(CCC2CCc3ccccc32)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCCc2cn(C)c3ccccc23)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCCCC2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCN(c3ccc(C(F)(F)F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C31H44F3N7O3S.C31H45FN6O3S.C30H42N6O3S.C29H41N5O3S.C26H44N6O3S/c1-22-28(30(42)40-17-12-27(13-18-40)39-15-10-25(11-16-39)38(2)45(3,43)44)36-21-37-29(22)35-19-23-5-4-14-41(20-23)26-8-6-24(7-9-26)31(32,33)34;1-22-29(31(39)38-17-13-28(14-18-38)37-15-11-27(12-16-37)36(2)42(3,40)41)34-21-35-30(22)33-20-23-5-4-6-25(19-23)24-7-9-26(32)10-8-24;1-22-27(10-7-8-23-20-33(2)28-11-6-5-9-26(23)28)31-21-32-29(22)30(37)36-18-14-25(15-19-36)35-16-12-24(13-17-35)34(3)40(4,38)39;1-21-27(11-10-23-9-8-22-6-4-5-7-26(22)23)30-20-31-28(21)29(35)34-18-14-25(15-19-34)33-16-12-24(13-17-33)32(2)38(3,36)37;1-20-24(28-19-29-25(20)27-18-21-8-6-4-5-7-9-21)26(33)32-16-12-23(13-17-32)31-14-10-22(11-15-31)30(2)36(3,34)35/h6-9,21,23,25,27H,4-5,10-20H2,1-3H3,(H,35,36,37);7-10,21,23,25,27-28H,4-6,11-20H2,1-3H3,(H,33,34,35);5-6,9,11,20-21,24-25H,7-8,10,12-19H2,1-4H3;4-7,20,23-25H,8-19H2,1-3H3;19,21-23H,4-18H2,1-3H3,(H,27,28,29)
InChIKeyVFEQTFHCIWURIS-UHFFFAOYSA-N
XLogP18.31
TPSA477.81 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds38
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002879.87
LogP ≤ 518.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-cyclopentylethyl)-N-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide;2-cyclopentyl-N-ethyl-N-[[3-[2-[3-(3-fluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]ethanamine;3,3-difluoro-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]-1H-indol-2-one;2-[3-(3,5-difluorophenyl)propyl]-4-[2-methyl-3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[(2,2-dimethylpiperazin-1-yl)methyl]phenyl]-N-[2-(3-fluorophenyl)ethyl]pyrimidin-2-amine;N-ethyl-N-[[3-[2-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine
CID 158317458
8-[(2S)-1-[[6-[2-(2-acetamidoethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;8-[(2S)-1-[[6-[2-[(1-but-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[(1-prop-1-en-2-ylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[2-(2,2,2-trifluoroethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 158824408
8-[(2S)-1-[[6-[2-[[2-(dimethylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[2-[[2-(methylamino)-2-oxoethyl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;5-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 159735005
N-[3-[[[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
CID 168870708
N-[3-[[[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 168870923
N-[3-[[[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 168870964
N-[3-[[[2-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 168871266
N-[3-[[[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
CID 168871276
N-[3-[[[2-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
CID 168871807
N-[3-[[[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
CID 168871823
N-[3-[[[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]-N-methylmethanesulfonamide
CID 168871894
N-[3-[[[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperazin-1-yl]piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrazin-2-yl]-N-methylmethanesulfonamide
CID 168872108

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 161281825) is N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is Cc1c(CCC2CCc3ccccc32)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCCc2cn(C)c3ccccc23)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCC(c3ccc(F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCCCC2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(NCC2CCCN(c3ccc(C(F)(F)F)cc3)C2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is VFEQTFHCIWURIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44F3N7O3S.C31H45FN6O3S.C30H42N6O3S.C29H41N5O3S.C26H44N6O3S/c1-22-28(30(42)40-17-12-27(13-18-40)39-15-10-25(11-16-39)38(2)45(3,43)44)36-21-37-29(22)35-19-23-5-4-14-41(20-23)26-8-6-24(7-9-26)31(32,33)34;1-22-29(31(39)38-17-13-28(14-18-38)37-15-11-27(12-16-37)36(2)42(3,40)41)34-21-35-30(22)33-20-23-5-4-6-25(19-23)24-7-9-26(32)10-8-24;1-22-27(10-7-8-23-20-33(2)28-11-6-5-9-26(23)28)31-21-32-29(22)30(37)36-18-14-25(15-19-36)35-16-12-24(13-17-35)34(3)40(4,38)39;1-21-27(11-10-23-9-8-22-6-4-5-7-26(22)23)30-20-31-28(21)29(35)34-18-14-25(15-19-34)33-16-12-24(13-17-33)32(2)38(3,36)37;1-20-24(28-19-29-25(20)27-18-21-8-6-4-5-7-9-21)26(33)32-16-12-23(13-17-32)31-14-10-22(11-15-31)30(2)36(3,34)35/h6-9,21,23,25,27H,4-5,10-20H2,1-3H3,(H,35,36,37);7-10,21,23,25,27-28H,4-6,11-20H2,1-3H3,(H,33,34,35);5-6,9,11,20-21,24-25H,7-8,10,12-19H2,1-4H3;4-7,20,23-25H,8-19H2,1-3H3;19,21-23H,4-18H2,1-3H3,(H,27,28,29).
What are the key properties of N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 2879.87 g/mol, XLogP of 18.31, 38 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[6-(cycloheptylmethylamino)-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-[1-[1-[6-[[3-(4-fluorophenyl)cyclohexyl]methylamino]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[3-(1-methylindol-3-yl)propyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide;N-methyl-N-[1-[1-[5-methyl-6-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 161281825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).