N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide

C110H130F11N31O6 — CID 160569719

IUPACN-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1c(-n2nccn2)ccc(C)c1F)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CN(C)c1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(OC)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(C)cc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C22H25F3N6O.C22H27F2N7O.C22H26F2N6O2.2C22H26F2N6O/c1-5-30(15(3)7-9-18-26-12-16(13-27-18)22(4,24)25)21(32)19-17(31-28-10-11-29-31)8-6-14(2)20(19)23;1-6-30(16(3)14-29(5)21-25-12-17(13-26-21)22(4,23)24)20(32)18-11-15(2)7-8-19(18)31-27-9-10-28-31;1-5-29(15(2)6-9-20-25-13-16(14-26-20)22(3,23)24)21(31)18-12-17(32-4)7-8-19(18)30-27-10-11-28-30;1-5-29(16(3)7-9-20-25-13-17(14-26-20)22(4,23)24)21(31)18-12-15(2)6-8-19(18)30-27-10-11-28-30;1-5-29(16(3)7-9-20-25-13-17(14-26-20)22(4,23)24)21(31)18-8-6-15(2)12-19(18)30-27-10-11-28-30/h6,8,10-13,15H,5,7,9H2,1-4H3;7-13,16H,6,14H2,1-5H3;7-8,10-15H,5-6,9H2,1-4H3;2*6,8,10-14,16H,5,7,9H2,1-4H3/t15-;16-;15-;2*16-/m00000/s1
InChIKeyRAJQIXFTYGXHTA-KHDGSKAHSA-N
MW2191.44 g/mol
LogP19.15
Rot. Bonds41

About N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide

N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 160569719) has the molecular formula C110H130F11N31O6 and a molecular weight of 2191.44 g/mol. Its IUPAC name is N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID160569719
Molecular FormulaC110H130F11N31O6
Molecular Weight2191.44 g/mol
Exact Mass2190.06
IUPAC NameN-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1c(-n2nccn2)ccc(C)c1F)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CN(C)c1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(OC)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(C)cc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C22H25F3N6O.C22H27F2N7O.C22H26F2N6O2.2C22H26F2N6O/c1-5-30(15(3)7-9-18-26-12-16(13-27-18)22(4,24)25)21(32)19-17(31-28-10-11-29-31)8-6-14(2)20(19)23;1-6-30(16(3)14-29(5)21-25-12-17(13-26-21)22(4,23)24)20(32)18-11-15(2)7-8-19(18)31-27-9-10-28-31;1-5-29(15(2)6-9-20-25-13-16(14-26-20)22(3,23)24)21(31)18-12-17(32-4)7-8-19(18)30-27-10-11-28-30;1-5-29(16(3)7-9-20-25-13-17(14-26-20)22(4,23)24)21(31)18-12-15(2)6-8-19(18)30-27-10-11-28-30;1-5-29(16(3)7-9-20-25-13-17(14-26-20)22(4,23)24)21(31)18-8-6-15(2)12-19(18)30-27-10-11-28-30/h6,8,10-13,15H,5,7,9H2,1-4H3;7-13,16H,6,14H2,1-5H3;7-8,10-15H,5-6,9H2,1-4H3;2*6,8,10-14,16H,5,7,9H2,1-4H3/t15-;16-;15-;2*16-/m00000/s1
InChIKeyRAJQIXFTYGXHTA-KHDGSKAHSA-N
XLogP19.15
TPSA396.47 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.44
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide with MolForge

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Related Compounds

[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone;[5-fluoro-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 157092228
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide
CID 157107931
2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-6-(2-propan-2-ylpyrimidin-5-yl)indazol-3-one;1-[[2-(difluoromethoxy)-5-morpholin-4-ylphenyl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-6-[2-[(2R)-4-(2-hydroxyacetyl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]-2-methylindazol-3-one;1-[[1-[(4-ethyl-3-pyridinyl)methyl]-4-(trifluoromethyl)pyrrol-3-yl]methyl]-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylindazol-3-one;6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1-[[1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyrrol-3-yl]methyl]indazol-3-one
CID 157304080
2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(3-methoxy-2-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-methyl-2-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157594700
(4R)-5-cyclopentyl-4-ethyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-fluorobenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-methyl-3-(trifluoromethyl)benzamide
CID 157696834
5-cyano-N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(1-methyl-6-oxo-3-pyridinyl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(1-methylpyrazol-4-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-methyl-2-pyrimidin-2-ylbenzamide
CID 157739974
[2-[(5-Fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(4-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[2-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158051729
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158062369
[5-Fluoro-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methoxy-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158325543
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158466832
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158546925

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide (CID 160569719) is N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1c(-n2nccn2)ccc(C)c1F)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CN(C)c1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(OC)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(C)cc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.
What is the InChIKey of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is RAJQIXFTYGXHTA-KHDGSKAHSA-N. The full InChI is InChI=1S/C22H25F3N6O.C22H27F2N7O.C22H26F2N6O2.2C22H26F2N6O/c1-5-30(15(3)7-9-18-26-12-16(13-27-18)22(4,24)25)21(32)19-17(31-28-10-11-29-31)8-6-14(2)20(19)23;1-6-30(16(3)14-29(5)21-25-12-17(13-26-21)22(4,23)24)20(32)18-11-15(2)7-8-19(18)31-27-9-10-28-31;1-5-29(15(2)6-9-20-25-13-16(14-26-20)22(3,23)24)21(31)18-12-17(32-4)7-8-19(18)30-27-10-11-28-30;1-5-29(16(3)7-9-20-25-13-17(14-26-20)22(4,23)24)21(31)18-12-15(2)6-8-19(18)30-27-10-11-28-30;1-5-29(16(3)7-9-20-25-13-17(14-26-20)22(4,23)24)21(31)18-8-6-15(2)12-19(18)30-27-10-11-28-30/h6,8,10-13,15H,5,7,9H2,1-4H3;7-13,16H,6,14H2,1-5H3;7-8,10-15H,5-6,9H2,1-4H3;2*6,8,10-14,16H,5,7,9H2,1-4H3/t15-;16-;15-;2*16-/m00000/s1.
What are the key properties of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 2191.44 g/mol, XLogP of 19.15, 41 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-3-methyl-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)pyrimidin-2-yl]-methylamino]propan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 160569719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).