[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone

C182H243F3N34O11S — CID 159274516

IUPAC[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone
SMILESCc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(COc3ccccc3)C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(Cc3cccnc3)C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCc3ncc(C(F)(F)F)cc3C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(NC2CCOc3cccnc32)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(NCC2CCCCO2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C33H43N5O2.C32H42N6O.C31H37F3N6O.C30H38N6O2.C28H42N6O3S.C28H41N5O2/c1-24-30(35-23-36-31(24)34-20-25-10-12-27(13-11-25)33(2,3)4)32(39)37-18-15-28(16-19-37)38-17-14-26(21-38)22-40-29-8-6-5-7-9-29;1-23-29(35-22-36-30(23)34-20-24-7-9-27(10-8-24)32(2,3)4)31(39)37-16-12-28(13-17-37)38-15-11-26(21-38)18-25-6-5-14-33-19-25;1-20-27(37-19-38-28(20)36-16-21-5-7-23(8-6-21)30(2,3)4)29(41)39-12-9-25(10-13-39)40-14-11-26-22(18-40)15-24(17-35-26)31(32,33)34;1-20-26(33-19-34-28(20)32-18-21-7-9-22(10-8-21)30(2,3)4)29(37)36-15-11-23(12-16-36)35-24-13-17-38-25-6-5-14-31-27(24)25;1-20-25(30-19-31-26(20)29-17-21-8-10-22(11-9-21)28(2,3)4)27(35)33-15-12-23(13-16-33)32-24-7-6-14-34(18-24)38(5,36)37;1-20-25(27(34)33-14-12-23(13-15-33)29-18-24-7-5-6-16-35-24)31-19-32-26(20)30-17-21-8-10-22(11-9-21)28(2,3)4/h5-13,23,26,28H,14-22H2,1-4H3,(H,34,35,36);5-10,14,19,22,26,28H,11-13,15-18,20-21H2,1-4H3,(H,34,35,36);5-8,15,17,19,25H,9-14,16,18H2,1-4H3,(H,36,37,38);5-10,14,19,23-24,35H,11-13,15-18H2,1-4H3,(H,32,33,34);8-11,19,23-24,32H,6-7,12-18H2,1-5H3,(H,29,30,31);8-11,19,23-24,29H,5-7,12-18H2,1-4H3,(H,30,31,32)/t;;;;24-;/m....1./s1
InChIKeyKYCZTZVJKUNCLW-HDHYVNBTSA-N
MW3172.23 g/mol
LogP29.31
Rot. Bonds40

About [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone

[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone (PubChem CID 159274516) has the molecular formula C182H243F3N34O11S and a molecular weight of 3172.23 g/mol. Its IUPAC name is [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone
PubChem CID159274516
Molecular FormulaC182H243F3N34O11S
Molecular Weight3172.23 g/mol
Exact Mass3169.92
IUPAC Name[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone
SMILESCc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(COc3ccccc3)C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(Cc3cccnc3)C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCc3ncc(C(F)(F)F)cc3C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(NC2CCOc3cccnc32)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(NCC2CCCCO2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1
InChIInChI=1S/C33H43N5O2.C32H42N6O.C31H37F3N6O.C30H38N6O2.C28H42N6O3S.C28H41N5O2/c1-24-30(35-23-36-31(24)34-20-25-10-12-27(13-11-25)33(2,3)4)32(39)37-18-15-28(16-19-37)38-17-14-26(21-38)22-40-29-8-6-5-7-9-29;1-23-29(35-22-36-30(23)34-20-24-7-9-27(10-8-24)32(2,3)4)31(39)37-16-12-28(13-17-37)38-15-11-26(21-38)18-25-6-5-14-33-19-25;1-20-27(37-19-38-28(20)36-16-21-5-7-23(8-6-21)30(2,3)4)29(41)39-12-9-25(10-13-39)40-14-11-26-22(18-40)15-24(17-35-26)31(32,33)34;1-20-26(33-19-34-28(20)32-18-21-7-9-22(10-8-21)30(2,3)4)29(37)36-15-11-23(12-16-36)35-24-13-17-38-25-6-5-14-31-27(24)25;1-20-25(30-19-31-26(20)29-17-21-8-10-22(11-9-21)28(2,3)4)27(35)33-15-12-23(13-16-33)32-24-7-6-14-34(18-24)38(5,36)37;1-20-25(27(34)33-14-12-23(13-15-33)29-18-24-7-5-6-16-35-24)31-19-32-26(20)30-17-21-8-10-22(11-9-21)28(2,3)4/h5-13,23,26,28H,14-22H2,1-4H3,(H,34,35,36);5-10,14,19,22,26,28H,11-13,15-18,20-21H2,1-4H3,(H,34,35,36);5-8,15,17,19,25H,9-14,16,18H2,1-4H3,(H,36,37,38);5-10,14,19,23-24,35H,11-13,15-18H2,1-4H3,(H,32,33,34);8-11,19,23-24,32H,6-7,12-18H2,1-5H3,(H,29,30,31);8-11,19,23-24,29H,5-7,12-18H2,1-4H3,(H,30,31,32)/t;;;;24-;/m....1./s1
InChIKeyKYCZTZVJKUNCLW-HDHYVNBTSA-N
XLogP29.31
TPSA498.27 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds40
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003172.23
LogP ≤ 529.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

bis((4S)-1-[2-(1-acetylpiperidin-4-yl)oxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one);6-[(1-acetylpyrrolidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(oxolan-3-ylmethyl)pyridine-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(pyrrolidin-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine-4-carboxamide
CID 157124343
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157167560
CID 157232373
CID 157232373
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine;methane
CID 157271261
2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157333860
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-(4-tert-butylphenoxy)-1-methylsulfonylpyrrolidine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157377566
CID 157415825
CID 157415825
6-tert-butyl-5-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-(oxolan-3-ylmethyl)pyrimidine;5-(3-tert-butylphenoxy)pentanamide;4-tert-butyl-2-piperidin-4-yloxypyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine;1-[3-[(4-tert-butyl-2-pyridinyl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 157428196
2-tert-butyl-4-fluoro-1H-indene;4-tert-butyl-2-[2-(1-methylpiperidin-4-yl)ethyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxan-4-ylmethyl)pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;1-[(3R)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylacetamide;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine
CID 157471433
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157646118
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;3-tert-butyl-5-(oxolan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)pyrrolidine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;1-[3-[(6-tert-butylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157658480
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157664120

Frequently Asked Questions

What is the IUPAC name of [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone?
The IUPAC name of [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone (CID 159274516) is [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone?
The canonical SMILES for [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone is Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(COc3ccccc3)C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCC(Cc3cccnc3)C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N2CCc3ncc(C(F)(F)F)cc3C2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(NC2CCOc3cccnc32)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(NCC2CCCCO2)CC1.Cc1c(NCc2ccc(C(C)(C)C)cc2)ncnc1C(=O)N1CCC(N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1.
What is the InChIKey of [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone?
The InChIKey is KYCZTZVJKUNCLW-HDHYVNBTSA-N. The full InChI is InChI=1S/C33H43N5O2.C32H42N6O.C31H37F3N6O.C30H38N6O2.C28H42N6O3S.C28H41N5O2/c1-24-30(35-23-36-31(24)34-20-25-10-12-27(13-11-25)33(2,3)4)32(39)37-18-15-28(16-19-37)38-17-14-26(21-38)22-40-29-8-6-5-7-9-29;1-23-29(35-22-36-30(23)34-20-24-7-9-27(10-8-24)32(2,3)4)31(39)37-16-12-28(13-17-37)38-15-11-26(21-38)18-25-6-5-14-33-19-25;1-20-27(37-19-38-28(20)36-16-21-5-7-23(8-6-21)30(2,3)4)29(41)39-12-9-25(10-13-39)40-14-11-26-22(18-40)15-24(17-35-26)31(32,33)34;1-20-26(33-19-34-28(20)32-18-21-7-9-22(10-8-21)30(2,3)4)29(37)36-15-11-23(12-16-36)35-24-13-17-38-25-6-5-14-31-27(24)25;1-20-25(30-19-31-26(20)29-17-21-8-10-22(11-9-21)28(2,3)4)27(35)33-15-12-23(13-16-33)32-24-7-6-14-34(18-24)38(5,36)37;1-20-25(27(34)33-14-12-23(13-15-33)29-18-24-7-5-6-16-35-24)31-19-32-26(20)30-17-21-8-10-22(11-9-21)28(2,3)4/h5-13,23,26,28H,14-22H2,1-4H3,(H,34,35,36);5-10,14,19,22,26,28H,11-13,15-18,20-21H2,1-4H3,(H,34,35,36);5-8,15,17,19,25H,9-14,16,18H2,1-4H3,(H,36,37,38);5-10,14,19,23-24,35H,11-13,15-18H2,1-4H3,(H,32,33,34);8-11,19,23-24,32H,6-7,12-18H2,1-5H3,(H,29,30,31);8-11,19,23-24,29H,5-7,12-18H2,1-4H3,(H,30,31,32)/t;;;;24-;/m....1./s1.
What are the key properties of [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone?
[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone has a molecular weight of 3172.23 g/mol, XLogP of 29.31, 40 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-(oxan-2-ylmethylamino)piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone;[6-[(4-tert-butylphenyl)methylamino]-5-methylpyrimidin-4-yl]-[4-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 159274516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).