N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide

C110H121F12N27O6 — CID 161106450

IUPACN-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1ccc(F)cc1-c1nnc(C)o1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cncnc1-c1ccccc1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1nccnc1-c1ccccc1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1
InChIInChI=1S/2C23H25F2N5O.C22H24F3N5O2.C21H23F3N6O.C21H24F2N6O/c1-4-30(16(2)10-11-20-27-12-18(13-28-20)23(3,24)25)22(31)19-14-26-15-29-21(19)17-8-6-5-7-9-17;1-4-30(16(2)10-11-19-28-14-18(15-29-19)23(3,24)25)22(31)21-20(26-12-13-27-21)17-8-6-5-7-9-17;1-5-30(13(2)6-8-16-11-27-19(12-26-16)22(4,24)25)21(31)17-9-7-15(23)10-18(17)20-29-28-14(3)32-20;1-4-29(14(2)8-9-15-12-26-18(13-25-15)21(3,23)24)20(31)16-6-5-7-17(22)19(16)30-27-10-11-28-30;1-4-28(15(2)9-10-16-13-25-19(14-24-16)21(3,22)23)20(30)17-7-5-6-8-18(17)29-26-11-12-27-29/h2*5-9,12-16H,4,10-11H2,1-3H3;7,9-13H,5-6,8H2,1-4H3;5-7,10-14H,4,8-9H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t2*16-;13-;14-;15-/m00000/s1
InChIKeyUJCPRVLRRYHLDR-GKOXTSCASA-N
MW2145.34 g/mol
LogP21.07
Rot. Bonds40

About N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide

N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 161106450) has the molecular formula C110H121F12N27O6 and a molecular weight of 2145.34 g/mol. Its IUPAC name is N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide
PubChem CID161106450
Molecular FormulaC110H121F12N27O6
Molecular Weight2145.34 g/mol
Exact Mass2143.98
IUPAC NameN-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1ccc(F)cc1-c1nnc(C)o1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cncnc1-c1ccccc1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1nccnc1-c1ccccc1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1
InChIInChI=1S/2C23H25F2N5O.C22H24F3N5O2.C21H23F3N6O.C21H24F2N6O/c1-4-30(16(2)10-11-20-27-12-18(13-28-20)23(3,24)25)22(31)19-14-26-15-29-21(19)17-8-6-5-7-9-17;1-4-30(16(2)10-11-19-28-14-18(15-29-19)23(3,24)25)22(31)21-20(26-12-13-27-21)17-8-6-5-7-9-17;1-5-30(13(2)6-8-16-11-27-19(12-26-16)22(4,24)25)21(31)17-9-7-15(23)10-18(17)20-29-28-14(3)32-20;1-4-29(14(2)8-9-15-12-26-18(13-25-15)21(3,23)24)20(31)16-6-5-7-17(22)19(16)30-27-10-11-28-30;1-4-28(15(2)9-10-16-13-25-19(14-24-16)21(3,22)23)20(30)17-7-5-6-8-18(17)29-26-11-12-27-29/h2*5-9,12-16H,4,10-11H2,1-3H3;7,9-13H,5-6,8H2,1-4H3;5-7,10-14H,4,8-9H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t2*16-;13-;14-;15-/m00000/s1
InChIKeyUJCPRVLRRYHLDR-GKOXTSCASA-N
XLogP21.07
TPSA382.35 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds40
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.34
LogP ≤ 521.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157163912
(4,5-Dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157367142
methane;7-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]purin-8-one;2-(2-propan-2-ylphenyl)-7-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157371199
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[6-(1,1-difluoroethyl)-5-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-3,4-dimethyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide
CID 157621654
[2-Deuterio-2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157927933
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
CID 157952213
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157967936
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide
CID 158446173
(2-fluoro-6-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;(2-fluoro-6-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-fluoro-6-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 158956003
(4,5-Dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158965488
2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;ethyl 3-[1-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]piperidin-4-yl]benzoate
CID 159109838
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[6-(1,1-difluoroethyl)-5-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-3,4-dimethyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide
CID 159184634

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide (CID 161106450) is N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1ccc(F)cc1-c1nnc(C)o1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)CCc1cnc(C(C)(F)F)cn1.CCN(C(=O)c1cncnc1-c1ccccc1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1nccnc1-c1ccccc1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.
What is the InChIKey of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is UJCPRVLRRYHLDR-GKOXTSCASA-N. The full InChI is InChI=1S/2C23H25F2N5O.C22H24F3N5O2.C21H23F3N6O.C21H24F2N6O/c1-4-30(16(2)10-11-20-27-12-18(13-28-20)23(3,24)25)22(31)19-14-26-15-29-21(19)17-8-6-5-7-9-17;1-4-30(16(2)10-11-19-28-14-18(15-29-19)23(3,24)25)22(31)21-20(26-12-13-27-21)17-8-6-5-7-9-17;1-5-30(13(2)6-8-16-11-27-19(12-26-16)22(4,24)25)21(31)17-9-7-15(23)10-18(17)20-29-28-14(3)32-20;1-4-29(14(2)8-9-15-12-26-18(13-25-15)21(3,23)24)20(31)16-6-5-7-17(22)19(16)30-27-10-11-28-30;1-4-28(15(2)9-10-16-13-25-19(14-24-16)21(3,22)23)20(30)17-7-5-6-8-18(17)29-26-11-12-27-29/h2*5-9,12-16H,4,10-11H2,1-3H3;7,9-13H,5-6,8H2,1-4H3;5-7,10-14H,4,8-9H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t2*16-;13-;14-;15-/m00000/s1.
What are the key properties of N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide?
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 2145.34 g/mol, XLogP of 21.07, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrazin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-phenylpyrazine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 161106450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).