3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide

C147H160ClF21N42O7 — CID 159080574

IUPAC3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1c(F)cccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cc(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)c(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(Cl)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C21H23ClF2N6O.2C21H22F4N6O.3C21H23F3N6O.C21H24F2N6O/c1-4-29(14(2)8-9-18-25-12-15(13-26-18)21(3,23)24)20(31)16-6-5-7-17(22)19(16)30-27-10-11-28-30;1-4-30(13(2)5-8-17-26-11-14(12-27-17)21(3,24)25)20(32)15-6-7-16(22)18(23)19(15)31-28-9-10-29-31;1-4-30(13(2)5-6-18-26-11-14(12-27-18)21(3,24)25)20(32)16-9-15(22)10-17(23)19(16)31-28-7-8-29-31;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-11-16(22)6-7-18(17)30-27-9-10-28-30;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-7-6-16(22)11-18(17)30-27-9-10-28-30;1-4-29(14(2)8-9-18-25-12-15(13-26-18)21(3,23)24)20(31)19-16(22)6-5-7-17(19)30-27-10-11-28-30;1-4-28(15(2)9-10-19-24-13-16(14-25-19)21(3,22)23)20(30)17-7-5-6-8-18(17)29-26-11-12-27-29/h5-7,10-14H,4,8-9H2,1-3H3;6-7,9-13H,4-5,8H2,1-3H3;7-13H,4-6H2,1-3H3;2*6-7,9-14H,4-5,8H2,1-3H3;5-7,10-14H,4,8-9H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t14-;2*13-;3*14-;15-/m0000000/s1
InChIKeyKAULZHWZTZZUPP-CINPSHRVSA-N
MW3061.59 g/mol
LogP27.19
Rot. Bonds56

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

3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide (PubChem CID 159080574) has the molecular formula C147H160ClF21N42O7 and a molecular weight of 3061.59 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
PubChem CID159080574
Molecular FormulaC147H160ClF21N42O7
Molecular Weight3061.59 g/mol
Exact Mass3059.28
IUPAC Name3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1c(F)cccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cc(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)c(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(Cl)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1
InChIInChI=1S/C21H23ClF2N6O.2C21H22F4N6O.3C21H23F3N6O.C21H24F2N6O/c1-4-29(14(2)8-9-18-25-12-15(13-26-18)21(3,23)24)20(31)16-6-5-7-17(22)19(16)30-27-10-11-28-30;1-4-30(13(2)5-8-17-26-11-14(12-27-17)21(3,24)25)20(32)15-6-7-16(22)18(23)19(15)31-28-9-10-29-31;1-4-30(13(2)5-6-18-26-11-14(12-27-18)21(3,24)25)20(32)16-9-15(22)10-17(23)19(16)31-28-7-8-29-31;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-11-16(22)6-7-18(17)30-27-9-10-28-30;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-7-6-16(22)11-18(17)30-27-9-10-28-30;1-4-29(14(2)8-9-18-25-12-15(13-26-18)21(3,23)24)20(31)19-16(22)6-5-7-17(19)30-27-10-11-28-30;1-4-28(15(2)9-10-19-24-13-16(14-25-19)21(3,22)23)20(30)17-7-5-6-8-18(17)29-26-11-12-27-29/h5-7,10-14H,4,8-9H2,1-3H3;6-7,9-13H,4-5,8H2,1-3H3;7-13H,4-6H2,1-3H3;2*6-7,9-14H,4-5,8H2,1-3H3;5-7,10-14H,4,8-9H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t14-;2*13-;3*14-;15-/m0000000/s1
InChIKeyKAULZHWZTZZUPP-CINPSHRVSA-N
XLogP27.19
TPSA537.60 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds56
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003061.59
LogP ≤ 527.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

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

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Related Compounds

(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
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 157585756
[(2S,3R)-2-methyl-3-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-(pyridin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 157601942
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 157617989
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone;[3-fluoro-2-(5-fluoropyrimidin-2-yl)phenyl]-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 157806851
[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-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-chloro-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2,3,5-trimethyltriazol-3-ium-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 158019494
(6-Methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158056624
(6-Methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-(quinoxalin-2-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158316233
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-Chloro-6-methyl-3-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158775104
(4-Methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158829068

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide (CID 159080574) is 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1c(F)cccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)cc(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)c(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(Cl)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccccc1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cn1.
What is the InChIKey of 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
The InChIKey is KAULZHWZTZZUPP-CINPSHRVSA-N. The full InChI is InChI=1S/C21H23ClF2N6O.2C21H22F4N6O.3C21H23F3N6O.C21H24F2N6O/c1-4-29(14(2)8-9-18-25-12-15(13-26-18)21(3,23)24)20(31)16-6-5-7-17(22)19(16)30-27-10-11-28-30;1-4-30(13(2)5-8-17-26-11-14(12-27-17)21(3,24)25)20(32)15-6-7-16(22)18(23)19(15)31-28-9-10-29-31;1-4-30(13(2)5-6-18-26-11-14(12-27-18)21(3,24)25)20(32)16-9-15(22)10-17(23)19(16)31-28-7-8-29-31;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-11-16(22)6-7-18(17)30-27-9-10-28-30;1-4-29(14(2)5-8-19-25-12-15(13-26-19)21(3,23)24)20(31)17-7-6-16(22)11-18(17)30-27-9-10-28-30;1-4-29(14(2)8-9-18-25-12-15(13-26-18)21(3,23)24)20(31)19-16(22)6-5-7-17(19)30-27-10-11-28-30;1-4-28(15(2)9-10-19-24-13-16(14-25-19)21(3,22)23)20(30)17-7-5-6-8-18(17)29-26-11-12-27-29/h5-7,10-14H,4,8-9H2,1-3H3;6-7,9-13H,4-5,8H2,1-3H3;7-13H,4-6H2,1-3H3;2*6-7,9-14H,4-5,8H2,1-3H3;5-7,10-14H,4,8-9H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t14-;2*13-;3*14-;15-/m0000000/s1.
What are the key properties of 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide?
3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide has a molecular weight of 3061.59 g/mol, XLogP of 27.19, 56 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-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-3,4-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3,5-difluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-fluoro-6-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 159080574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).