(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C140H184F11N23O12 — CID 167665349

IUPAC(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCN(C)[C@H](CNC(=O)CC(c1ccc(C(F)(F)F)nc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1
InChIInChI=1S/C25H30F5N3O2.2C24H32F2N4O2.C23H30F2N4O2.2C22H30N4O2/c1-23(26,27)24(10-11-24)20(17-6-9-21(31-14-17)25(28,29)30)13-22(35)32-15-18(33(2)3)12-16-4-7-19(34)8-5-16;2*1-16-27-13-18(14-28-16)21(24(9-10-24)23(2,25)26)12-22(32)29-15-19(30(3)4)11-17-5-7-20(31)8-6-17;1-22(24,25)23(9-10-23)19(21-26-11-4-12-27-21)14-20(31)28-15-17(29(2)3)13-16-5-7-18(30)8-6-16;2*1-15-23-12-18(13-24-15)21(17-6-7-17)11-22(28)25-14-19(26(2)3)10-16-4-8-20(27)9-5-16/h4-9,14,18,20,34H,10-13,15H2,1-3H3,(H,32,35);2*5-8,13-14,19,21,31H,9-12,15H2,1-4H3,(H,29,32);4-8,11-12,17,19,30H,9-10,13-15H2,1-3H3,(H,28,31);2*4-5,8-9,12-13,17,19,21,27H,6-7,10-11,14H2,1-3H3,(H,25,28)/t18-,20?;19-,21+;19-,21-;17-,19?;19-,21+;19-,21-/m000000/s1
InChIKeySOCZCWFJRVXNIG-GWPGOJAOSA-N
MW2590.14 g/mol
LogP21.09
Rot. Bonds58

About (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 167665349) has the molecular formula C140H184F11N23O12 and a molecular weight of 2590.14 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID167665349
Molecular FormulaC140H184F11N23O12
Molecular Weight2590.14 g/mol
Exact Mass2588.43
IUPAC Name(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCN(C)[C@H](CNC(=O)CC(c1ccc(C(F)(F)F)nc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1
InChIInChI=1S/C25H30F5N3O2.2C24H32F2N4O2.C23H30F2N4O2.2C22H30N4O2/c1-23(26,27)24(10-11-24)20(17-6-9-21(31-14-17)25(28,29)30)13-22(35)32-15-18(33(2)3)12-16-4-7-19(34)8-5-16;2*1-16-27-13-18(14-28-16)21(24(9-10-24)23(2,25)26)12-22(32)29-15-19(30(3)4)11-17-5-7-20(31)8-6-17;1-22(24,25)23(9-10-23)19(21-26-11-4-12-27-21)14-20(31)28-15-17(29(2)3)13-16-5-7-18(30)8-6-16;2*1-15-23-12-18(13-24-15)21(17-6-7-17)11-22(28)25-14-19(26(2)3)10-16-4-8-20(27)9-5-16/h4-9,14,18,20,34H,10-13,15H2,1-3H3,(H,32,35);2*5-8,13-14,19,21,31H,9-12,15H2,1-4H3,(H,29,32);4-8,11-12,17,19,30H,9-10,13-15H2,1-3H3,(H,28,31);2*4-5,8-9,12-13,17,19,21,27H,6-7,10-11,14H2,1-3H3,(H,25,28)/t18-,20?;19-,21+;19-,21-;17-,19?;19-,21+;19-,21-/m000000/s1
InChIKeySOCZCWFJRVXNIG-GWPGOJAOSA-N
XLogP21.09
TPSA457.21 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds58
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002590.14
LogP ≤ 521.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide with MolForge

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Related Compounds

2-(4-Hydroxyphenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099033
2-(3-Fluoro-4-hydroxyphenyl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 119099041
3-[1-[[3-[2-[[[5-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]-3-pyridinyl]-[(2S)-2-methylpiperazin-1-yl]methyl]-[2-(4-hydroxyphenyl)ethyl]amino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-yl]propanoic acid
CID 139292771
2-(3-fluorophenyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)isoquinolin-1-one;2-(3-fluorophenyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-8-(2-methylpyrimidin-5-yl)isoquinolin-1-one;8-(5-hydroxy-3-pyridinyl)-3-[(1S)-1-[(5-isocyano-2-methylpyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
CID 157265028
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;1-methyl-5-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-1-(trifluoromethyl)pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157288646
4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone
CID 158473172
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-methylpyrazin-2-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(2-methylpyrimidin-5-yl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-2-pyridinyl]phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[3-(trifluoromethyl)-4-pyridinyl]phenol
CID 158508975
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-[5-(trifluoromethyl)pyrimidin-2-yl]phenol;1-[4-[[5-tert-butyl-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]piperazin-1-yl]ethanone;4-tert-butyl-2-[(4-methylpiperazin-1-yl)methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(piperidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 158835997
1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;6-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-ylcyclohexa-2,4-dien-1-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159223949
2-[3-(3,5-difluorophenyl)propyl]-4-[5-[(2-ethylpiperazin-1-yl)methyl]-2-methylphenyl]pyrimidine;4-[3-[4-[3-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]-2-(trifluoromethyl)phenol;(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazine-2-carboxamide;1-[(2R,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;1-[(2S,5S)-4-[[3-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methylpiperazin-2-yl]-2-(5H-tetrazol-5-yl)ethanone;4-[3-[4-[3-[[(2S,5R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 159757880
4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[3-(5-methyl-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[3-(5-methylpyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide;bis(4-[(2S)-2-(dimethylamino)-3-[[3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide);4-[(2S)-2-(dimethylamino)-3-[[3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 167540183
(3R)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;(3S)-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;3-(5-chloropyrimidin-2-yl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide
CID 167544546

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 167665349) is (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CN(C)[C@H](CNC(=O)CC(c1ccc(C(F)(F)F)nc1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(C)(F)F)CC1)Cc1ccc(O)cc1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2CC2)cn1.
What is the InChIKey of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is SOCZCWFJRVXNIG-GWPGOJAOSA-N. The full InChI is InChI=1S/C25H30F5N3O2.2C24H32F2N4O2.C23H30F2N4O2.2C22H30N4O2/c1-23(26,27)24(10-11-24)20(17-6-9-21(31-14-17)25(28,29)30)13-22(35)32-15-18(33(2)3)12-16-4-7-19(34)8-5-16;2*1-16-27-13-18(14-28-16)21(24(9-10-24)23(2,25)26)12-22(32)29-15-19(30(3)4)11-17-5-7-20(31)8-6-17;1-22(24,25)23(9-10-23)19(21-26-11-4-12-27-21)14-20(31)28-15-17(29(2)3)13-16-5-7-18(30)8-6-16;2*1-15-23-12-18(13-24-15)21(17-6-7-17)11-22(28)25-14-19(26(2)3)10-16-4-8-20(27)9-5-16/h4-9,14,18,20,34H,10-13,15H2,1-3H3,(H,32,35);2*5-8,13-14,19,21,31H,9-12,15H2,1-4H3,(H,29,32);4-8,11-12,17,19,30H,9-10,13-15H2,1-3H3,(H,28,31);2*4-5,8-9,12-13,17,19,21,27H,6-7,10-11,14H2,1-3H3,(H,25,28)/t18-,20?;19-,21+;19-,21-;17-,19?;19-,21+;19-,21-/m000000/s1.
What are the key properties of (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2590.14 g/mol, XLogP of 21.09, 58 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-ylpropanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 167665349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).