(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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide

C156H208Cl3F12N19O13 — CID 167625408

IUPAC(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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)NC[C@H](Cc2c(C)cc(O)cc2C)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)N(C)C
InChIInChI=1S/C27H37F2N3O3.2C26H34ClF2N3O2.2C26H35F2N3O2.C25H33ClF2N4O2/c1-17-11-21(33)12-18(2)22(17)13-20(32(4)5)16-30-24(34)14-23(27(9-10-27)26(3,28)29)19-7-8-25(35-6)31-15-19;2*1-16-8-21(33)9-17(2)22(16)11-20(32(4)5)15-31-24(34)12-23(18-10-19(27)14-30-13-18)26(6-7-26)25(3,28)29;2*1-17-11-21(32)12-18(2)22(17)13-20(31(4)5)16-30-24(33)14-23(19-7-6-10-29-15-19)26(8-9-26)25(3,27)28;1-15-8-19(33)9-16(2)20(15)10-18(32(4)5)14-29-22(34)11-21(23-30-12-17(26)13-31-23)25(6-7-25)24(3,27)28/h7-8,11-12,15,20,23,33H,9-10,13-14,16H2,1-6H3,(H,30,34);2*8-10,13-14,20,23,33H,6-7,11-12,15H2,1-5H3,(H,31,34);2*6-7,10-12,15,20,23,32H,8-9,13-14,16H2,1-5H3,(H,30,33);8-9,12-13,18,21,33H,6-7,10-11,14H2,1-5H3,(H,29,34)/t2*20-,23+;20-,23-;20-,23+;20-,23-;18-,21-/m000000/s1
InChIKeyNALVMLAUJKPNMY-LYKQUTOPSA-N
MW2891.83 g/mol
LogP28.98
Rot. Bonds61

About (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide

(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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide (PubChem CID 167625408) has the molecular formula C156H208Cl3F12N19O13 and a molecular weight of 2891.83 g/mol. Its IUPAC name is (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide
PubChem CID167625408
Molecular FormulaC156H208Cl3F12N19O13
Molecular Weight2891.83 g/mol
Exact Mass2888.51
IUPAC Name(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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide
SMILESCOc1ccc([C@@H](CC(=O)NC[C@H](Cc2c(C)cc(O)cc2C)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)N(C)C
InChIInChI=1S/C27H37F2N3O3.2C26H34ClF2N3O2.2C26H35F2N3O2.C25H33ClF2N4O2/c1-17-11-21(33)12-18(2)22(17)13-20(32(4)5)16-30-24(34)14-23(27(9-10-27)26(3,28)29)19-7-8-25(35-6)31-15-19;2*1-16-8-21(33)9-17(2)22(16)11-20(32(4)5)15-31-24(34)12-23(18-10-19(27)14-30-13-18)26(6-7-26)25(3,28)29;2*1-17-11-21(32)12-18(2)22(17)13-20(31(4)5)16-30-24(33)14-23(19-7-6-10-29-15-19)26(8-9-26)25(3,27)28;1-15-8-19(33)9-16(2)20(15)10-18(32(4)5)14-29-22(34)11-21(23-30-12-17(26)13-31-23)25(6-7-25)24(3,27)28/h7-8,11-12,15,20,23,33H,9-10,13-14,16H2,1-6H3,(H,30,34);2*8-10,13-14,20,23,33H,6-7,11-12,15H2,1-5H3,(H,31,34);2*6-7,10-12,15,20,23,32H,8-9,13-14,16H2,1-5H3,(H,30,33);8-9,12-13,18,21,33H,6-7,10-11,14H2,1-5H3,(H,29,34)/t2*20-,23+;20-,23-;20-,23+;20-,23-;18-,21-/m000000/s1
InChIKeyNALVMLAUJKPNMY-LYKQUTOPSA-N
XLogP28.98
TPSA414.88 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds61
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002891.83
LogP ≤ 528.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide with MolForge

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Related Compounds

2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158074042
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 158834434
bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;N-tert-butyl-3-propan-2-yl-5-(trifluoromethoxy)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene
CID 159917979
bis(3-tert-butyl-N,5-di(propan-2-yl)benzamide);2-tert-butyl-6-(1-methylcyclopropyl)-4-propan-2-ylpyridine;2-tert-butyl-4-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;4-tert-butyl-2-(1-methylcyclopropyl)-6-propan-2-ylpyrimidine;3-tert-butyl-N-methyl-N,5-di(propan-2-yl)benzamide;1-chloro-3-(1-methylcyclopropyl)-5-propan-2-ylbenzene;N,3-ditert-butyl-N-methyl-5-propan-2-ylbenzamide;N,6-ditert-butyl-N-methyl-4-propan-2-ylpyridine-2-carboxamide;N,6-ditert-butyl-4-propan-2-ylpyridine-2-carboxamide;1-(2,2-dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one;1-(1-methylcyclopropyl)-3-propan-2-yl-5-(trifluoromethoxy)benzene
CID 160162453
2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 160904243
2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 161168852
2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 161269557
2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 161792963
bis(4-chloro-2-methyl-1-propan-2-ylbenzene);1-chloro-4-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;bis(1-methyl-2-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylnaphthalene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol;2-methyl-5-propan-2-ylpyridine;bis(1-methyl-5-propan-2-ylpyridin-2-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;4-propan-2-ylphenol;1-propan-2-yl-4-(trifluoromethyl)benzene;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 161852951
(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
3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methoxypyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanoyl]amino]-2-(dimethylamino)propyl]benzamide;3-chloro-4-[(2S)-3-[[3-[1-(1,1-difluoroethyl)cyclopropyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]amino]-2-(dimethylamino)propyl]benzamide
CID 167572951
N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-cyclopropyl-3-phenylpropanamide;(3R)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyrimidin-5-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-cyclopropyl-3-pyrimidin-5-ylbutanamide;(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(2-methylpyrimidin-5-yl)propanamide
CID 167573571

Frequently Asked Questions

What is the IUPAC name of (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide (CID 167625408) is (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide is COc1ccc([C@@H](CC(=O)NC[C@H](Cc2c(C)cc(O)cc2C)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@@H](c1ncc(Cl)cn1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)N(C)C.Cc1cc(O)cc(C)c1C[C@@H](CNC(=O)C[C@H](c1cncc(Cl)c1)C1(C(C)(F)F)CC1)N(C)C.
What is the InChIKey of (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide?
The InChIKey is NALVMLAUJKPNMY-LYKQUTOPSA-N. The full InChI is InChI=1S/C27H37F2N3O3.2C26H34ClF2N3O2.2C26H35F2N3O2.C25H33ClF2N4O2/c1-17-11-21(33)12-18(2)22(17)13-20(32(4)5)16-30-24(34)14-23(27(9-10-27)26(3,28)29)19-7-8-25(35-6)31-15-19;2*1-16-8-21(33)9-17(2)22(16)11-20(32(4)5)15-31-24(34)12-23(18-10-19(27)14-30-13-18)26(6-7-26)25(3,28)29;2*1-17-11-21(32)12-18(2)22(17)13-20(31(4)5)16-30-24(33)14-23(19-7-6-10-29-15-19)26(8-9-26)25(3,27)28;1-15-8-19(33)9-16(2)20(15)10-18(32(4)5)14-29-22(34)11-21(23-30-12-17(26)13-31-23)25(6-7-25)24(3,27)28/h7-8,11-12,15,20,23,33H,9-10,13-14,16H2,1-6H3,(H,30,34);2*8-10,13-14,20,23,33H,6-7,11-12,15H2,1-5H3,(H,31,34);2*6-7,10-12,15,20,23,32H,8-9,13-14,16H2,1-5H3,(H,30,33);8-9,12-13,18,21,33H,6-7,10-11,14H2,1-5H3,(H,29,34)/t2*20-,23+;20-,23-;20-,23+;20-,23-;18-,21-/m000000/s1.
What are the key properties of (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide?
(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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide has a molecular weight of 2891.83 g/mol, XLogP of 28.98, 61 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(3R)-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;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 167625408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).