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

C127H157Cl5F14N22O12 — CID 167572951

IUPAC3-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
SMILESCN(C)[C@H](CNC(=O)CC(c1ccc(C(F)(F)F)nc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)CC(c1cncc(F)c1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.COc1ccc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.COc1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/C26H30ClF5N4O2.C26H33ClF2N4O3.C25H30ClF3N4O2.C25H32ClF2N5O3.C25H32ClF2N5O2/c1-24(28,29)25(8-9-25)19(17-6-7-21(34-13-17)26(30,31)32)12-22(37)35-14-18(36(2)3)10-15-4-5-16(23(33)38)11-20(15)27;1-25(28,29)26(9-10-26)20(18-7-8-23(36-4)32-14-18)13-22(34)31-15-19(33(2)3)11-16-5-6-17(24(30)35)12-21(16)27;1-24(28,29)25(6-7-25)20(17-8-18(27)13-31-12-17)11-22(34)32-14-19(33(2)3)9-15-4-5-16(23(30)35)10-21(15)26;1-24(27,28)25(7-8-25)19(17-12-31-23(36-4)32-13-17)11-21(34)30-14-18(33(2)3)9-15-5-6-16(22(29)35)10-20(15)26;1-15-30-12-18(13-31-15)20(25(7-8-25)24(2,27)28)11-22(34)32-14-19(33(3)4)9-16-5-6-17(23(29)35)10-21(16)26/h4-7,11,13,18-19H,8-10,12,14H2,1-3H3,(H2,33,38)(H,35,37);5-8,12,14,19-20H,9-11,13,15H2,1-4H3,(H2,30,35)(H,31,34);4-5,8,10,12-13,19-20H,6-7,9,11,14H2,1-3H3,(H2,30,35)(H,32,34);5-6,10,12-13,18-19H,7-9,11,14H2,1-4H3,(H2,29,35)(H,30,34);5-6,10,12-13,19-20H,7-9,11,14H2,1-4H3,(H2,29,35)(H,32,34)/t18-,19?;2*19-,20?;18-,19?;19-,20?/m00000/s1
InChIKeyGDQAWWXOKMNMBQ-KQXZGUIRSA-N
MW2627.03 g/mol
LogP20.43
Rot. Bonds57

About 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

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 (PubChem CID 167572951) has the molecular formula C127H157Cl5F14N22O12 and a molecular weight of 2627.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID167572951
Molecular FormulaC127H157Cl5F14N22O12
Molecular Weight2627.03 g/mol
Exact Mass2623.06
IUPAC Name3-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
SMILESCN(C)[C@H](CNC(=O)CC(c1ccc(C(F)(F)F)nc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)CC(c1cncc(F)c1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.COc1ccc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.COc1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1
InChIInChI=1S/C26H30ClF5N4O2.C26H33ClF2N4O3.C25H30ClF3N4O2.C25H32ClF2N5O3.C25H32ClF2N5O2/c1-24(28,29)25(8-9-25)19(17-6-7-21(34-13-17)26(30,31)32)12-22(37)35-14-18(36(2)3)10-15-4-5-16(23(33)38)11-20(15)27;1-25(28,29)26(9-10-26)20(18-7-8-23(36-4)32-14-18)13-22(34)31-15-19(33(2)3)11-16-5-6-17(24(30)35)12-21(16)27;1-24(28,29)25(6-7-25)20(17-8-18(27)13-31-12-17)11-22(34)32-14-19(33(2)3)9-15-4-5-16(23(30)35)10-21(15)26;1-24(27,28)25(7-8-25)19(17-12-31-23(36-4)32-13-17)11-21(34)30-14-18(33(2)3)9-15-5-6-16(22(29)35)10-20(15)26;1-15-30-12-18(13-31-15)20(25(7-8-25)24(2,27)28)11-22(34)32-14-19(33(3)4)9-16-5-6-17(23(29)35)10-21(16)26/h4-7,11,13,18-19H,8-10,12,14H2,1-3H3,(H2,33,38)(H,35,37);5-8,12,14,19-20H,9-11,13,15H2,1-4H3,(H2,30,35)(H,31,34);4-5,8,10,12-13,19-20H,6-7,9,11,14H2,1-3H3,(H2,30,35)(H,32,34);5-6,10,12-13,18-19H,7-9,11,14H2,1-4H3,(H2,29,35)(H,30,34);5-6,10,12-13,19-20H,7-9,11,14H2,1-4H3,(H2,29,35)(H,32,34)/t18-,19?;2*19-,20?;18-,19?;19-,20?/m00000/s1
InChIKeyGDQAWWXOKMNMBQ-KQXZGUIRSA-N
XLogP20.43
TPSA485.84 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds57
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002627.03
LogP ≤ 520.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

1-[4-[6-chloro-7-[2-fluoro-5-(trifluoromethoxy)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;3-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-N-cyclopropylbenzamide;ethane
CID 144829203
2-chloro-4-(2-methylpropyl)pyridine;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;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157231491
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;[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 157397105
N-(6-chloro-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-(4-methyl-2-pyridinyl)benzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-pyrimidin-4-ylbenzamide;4-[(E)-4,4-dimethylpent-2-en-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;N-(6-methoxy-3-pyridinyl)-4-[(E)-pent-1-enyl]benzamide;N-(2-methyl-4-pyridinyl)-4-[(E)-pent-1-enyl]benzamide
CID 157733649
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,3-dimethyl-5-propan-2-ylbenzamide;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-5-propan-2-ylpyridine;methane;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;tris(2-methyl-4-propan-2-ylaniline);1-methyl-3-propan-2-ylbenzene;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157770357
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
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N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
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2-chloro-4-(2-methylpropyl)pyridine;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;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
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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
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N-cyclohexyl-N,3-dimethylbutanamide;N-cyclohexyl-3-methylbutanamide;cyclohexyl 3-methylbutanoate;5-(2,3-dimethylbutyl)-2-methylpyridine;bis(N,3-dimethyl-N-(3-methylbutyl)butanamide);5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;4-methylpentylbenzene;2-methyl-5-(2,2,3-trimethylbutyl)pyridine;propan-2-yl 3-methylbutanoate
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CID 159722823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)[C@H](CNC(=O)CC(c1ccc(C(F)(F)F)nc1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.CN(C)[C@H](CNC(=O)CC(c1cncc(F)c1)C1(C(C)(F)F)CC1)Cc1ccc(C(N)=O)cc1Cl.COc1ccc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.COc1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ncc(C(CC(=O)NC[C@H](Cc2ccc(C(N)=O)cc2Cl)N(C)C)C2(C(C)(F)F)CC2)cn1.
What is the InChIKey of 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?
The InChIKey is GDQAWWXOKMNMBQ-KQXZGUIRSA-N. The full InChI is InChI=1S/C26H30ClF5N4O2.C26H33ClF2N4O3.C25H30ClF3N4O2.C25H32ClF2N5O3.C25H32ClF2N5O2/c1-24(28,29)25(8-9-25)19(17-6-7-21(34-13-17)26(30,31)32)12-22(37)35-14-18(36(2)3)10-15-4-5-16(23(33)38)11-20(15)27;1-25(28,29)26(9-10-26)20(18-7-8-23(36-4)32-14-18)13-22(34)31-15-19(33(2)3)11-16-5-6-17(24(30)35)12-21(16)27;1-24(28,29)25(6-7-25)20(17-8-18(27)13-31-12-17)11-22(34)32-14-19(33(2)3)9-15-4-5-16(23(30)35)10-21(15)26;1-24(27,28)25(7-8-25)19(17-12-31-23(36-4)32-13-17)11-21(34)30-14-18(33(2)3)9-15-5-6-16(22(29)35)10-20(15)26;1-15-30-12-18(13-31-15)20(25(7-8-25)24(2,27)28)11-22(34)32-14-19(33(3)4)9-16-5-6-17(23(29)35)10-21(16)26/h4-7,11,13,18-19H,8-10,12,14H2,1-3H3,(H2,33,38)(H,35,37);5-8,12,14,19-20H,9-11,13,15H2,1-4H3,(H2,30,35)(H,31,34);4-5,8,10,12-13,19-20H,6-7,9,11,14H2,1-3H3,(H2,30,35)(H,32,34);5-6,10,12-13,18-19H,7-9,11,14H2,1-4H3,(H2,29,35)(H,30,34);5-6,10,12-13,19-20H,7-9,11,14H2,1-4H3,(H2,29,35)(H,32,34)/t18-,19?;2*19-,20?;18-,19?;19-,20?/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 2627.03 g/mol, XLogP of 20.43, 57 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167572951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).