N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

C168H236Cl4F2N28O13S3 — CID 157354804

IUPACN-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCCN(C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1)S(C)(=O)=O.Cc1c(CCC2CCc3ccccc3N2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(F)(F)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCCC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCOCC2)CC1
InChIInChI=1S/C31H47N5O3S.C29H42N6O3S.C28H40N4O2.C28H40N4O.C27H37Cl2N5O3S.C25H30Cl2F2N4O/c1-23-28(14-11-24-9-12-25(13-10-24)31(2,3)4)32-22-33-29(23)30(37)36-18-7-8-27(17-21-36)35-19-15-26(16-20-35)34(5)40(6,38)39;1-21-26(11-10-23-9-8-22-6-4-5-7-27(22)32-23)30-20-31-28(21)29(36)35-18-14-25(15-19-35)34-16-12-24(13-17-34)33(2)39(3,37)38;1-21-25(12-9-22-7-10-23(11-8-22)28(2,3)4)29-20-30-26(21)27(33)32-14-5-6-24(13-15-32)31-16-18-34-19-17-31;1-21-25(14-11-22-9-12-23(13-10-22)28(2,3)4)29-20-30-26(21)27(33)32-18-7-8-24(15-19-32)31-16-5-6-17-31;1-4-34(38(3,36)37)22-11-13-32(14-12-22)21-9-15-33(16-10-21)27(35)26-19(2)25(30-18-31-26)8-6-20-5-7-23(28)24(29)17-20;1-17-22(4-2-3-18-5-6-20(26)21(27)15-18)30-16-31-23(17)24(34)33-11-7-19(8-12-33)32-13-9-25(28,29)10-14-32/h9-10,12-13,22,26-27H,7-8,11,14-21H2,1-6H3;4-7,20,23-25,32H,8-19H2,1-3H3;7-8,10-11,20,24H,5-6,9,12-19H2,1-4H3;9-10,12-13,20,24H,5-8,11,14-19H2,1-4H3;5,7,17-18,21-22H,4,6,8-16H2,1-3H3;5-6,15-16,19H,2-4,7-14H2,1H3
InChIKeyBHYMLHIJENPVNV-UHFFFAOYSA-N
MW3131.93 g/mol
LogP26.31
Rot. Bonds38

About N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide

N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (PubChem CID 157354804) has the molecular formula C168H236Cl4F2N28O13S3 and a molecular weight of 3131.93 g/mol. Its IUPAC name is N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
PubChem CID157354804
Molecular FormulaC168H236Cl4F2N28O13S3
Molecular Weight3131.93 g/mol
Exact Mass3127.66
IUPAC NameN-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
SMILESCCN(C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1)S(C)(=O)=O.Cc1c(CCC2CCc3ccccc3N2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(F)(F)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCCC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCOCC2)CC1
InChIInChI=1S/C31H47N5O3S.C29H42N6O3S.C28H40N4O2.C28H40N4O.C27H37Cl2N5O3S.C25H30Cl2F2N4O/c1-23-28(14-11-24-9-12-25(13-10-24)31(2,3)4)32-22-33-29(23)30(37)36-18-7-8-27(17-21-36)35-19-15-26(16-20-35)34(5)40(6,38)39;1-21-26(11-10-23-9-8-22-6-4-5-7-27(22)32-23)30-20-31-28(21)29(36)35-18-14-25(15-19-35)34-16-12-24(13-17-34)33(2)39(3,37)38;1-21-25(12-9-22-7-10-23(11-8-22)28(2,3)4)29-20-30-26(21)27(33)32-14-5-6-24(13-15-32)31-16-18-34-19-17-31;1-21-25(14-11-22-9-12-23(13-10-22)28(2,3)4)29-20-30-26(21)27(33)32-18-7-8-24(15-19-32)31-16-5-6-17-31;1-4-34(38(3,36)37)22-11-13-32(14-12-22)21-9-15-33(16-10-21)27(35)26-19(2)25(30-18-31-26)8-6-20-5-7-23(28)24(29)17-20;1-17-22(4-2-3-18-5-6-20(26)21(27)15-18)30-16-31-23(17)24(34)33-11-7-19(8-12-33)32-13-9-25(28,29)10-14-32/h9-10,12-13,22,26-27H,7-8,11,14-21H2,1-6H3;4-7,20,23-25,32H,8-19H2,1-3H3;7-8,10-11,20,24H,5-6,9,12-19H2,1-4H3;9-10,12-13,20,24H,5-8,11,14-19H2,1-4H3;5,7,17-18,21-22H,4,6,8-16H2,1-3H3;5-6,15-16,19H,2-4,7-14H2,1H3
InChIKeyBHYMLHIJENPVNV-UHFFFAOYSA-N
XLogP26.31
TPSA429.38 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms218
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003131.93
LogP ≤ 526.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide (CID 157354804) is N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is CCN(C1CCN(C2CCN(C(=O)c3ncnc(CCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1)S(C)(=O)=O.Cc1c(CCC2CCc3ccccc3N2)ncnc1C(=O)N1CCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCCc2ccc(Cl)c(Cl)c2)ncnc1C(=O)N1CCC(N2CCC(F)(F)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCC(N(C)S(C)(=O)=O)CC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCCC2)CC1.Cc1c(CCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCCC(N2CCOCC2)CC1.
What is the InChIKey of N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
The InChIKey is BHYMLHIJENPVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N5O3S.C29H42N6O3S.C28H40N4O2.C28H40N4O.C27H37Cl2N5O3S.C25H30Cl2F2N4O/c1-23-28(14-11-24-9-12-25(13-10-24)31(2,3)4)32-22-33-29(23)30(37)36-18-7-8-27(17-21-36)35-19-15-26(16-20-35)34(5)40(6,38)39;1-21-26(11-10-23-9-8-22-6-4-5-7-27(22)32-23)30-20-31-28(21)29(36)35-18-14-25(15-19-35)34-16-12-24(13-17-34)33(2)39(3,37)38;1-21-25(12-9-22-7-10-23(11-8-22)28(2,3)4)29-20-30-26(21)27(33)32-14-5-6-24(13-15-32)31-16-18-34-19-17-31;1-21-25(14-11-22-9-12-23(13-10-22)28(2,3)4)29-20-30-26(21)27(33)32-18-7-8-24(15-19-32)31-16-5-6-17-31;1-4-34(38(3,36)37)22-11-13-32(14-12-22)21-9-15-33(16-10-21)27(35)26-19(2)25(30-18-31-26)8-6-20-5-7-23(28)24(29)17-20;1-17-22(4-2-3-18-5-6-20(26)21(27)15-18)30-16-31-23(17)24(34)33-11-7-19(8-12-33)32-13-9-25(28,29)10-14-32/h9-10,12-13,22,26-27H,7-8,11,14-21H2,1-6H3;4-7,20,23-25,32H,8-19H2,1-3H3;7-8,10-11,20,24H,5-6,9,12-19H2,1-4H3;9-10,12-13,20,24H,5-8,11,14-19H2,1-4H3;5,7,17-18,21-22H,4,6,8-16H2,1-3H3;5-6,15-16,19H,2-4,7-14H2,1H3.
What are the key properties of N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide?
N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide has a molecular weight of 3131.93 g/mol, XLogP of 26.31, 38 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidine-4-carbonyl]azepan-4-yl]piperidin-4-yl]-N-methylmethanesulfonamide;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-morpholin-4-ylazepan-1-yl)methanone;[6-[2-(4-tert-butylphenyl)ethyl]-5-methylpyrimidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;N-[1-[1-[6-[2-(3,4-dichlorophenyl)ethyl]-5-methylpyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]-N-ethylmethanesulfonamide;[6-[3-(3,4-dichlorophenyl)propyl]-5-methylpyrimidin-4-yl]-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]methanone;N-methyl-N-[1-[1-[5-methyl-6-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 157354804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).