N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide

C127H143F14N35O12 — CID 161459983

IUPACN-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)c(C)cc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1cccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(C)c(C)c1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1
InChIInChI=1S/2C22H26F2N6O2.C22H25F2N5O2.C21H24F2N6O2.2C20H21F3N6O2/c1-6-29(16(4)13-32-21-25-11-17(12-26-21)22(5,23)24)20(31)18-9-14(2)15(3)10-19(18)30-27-7-8-28-30;1-6-29(15(3)13-32-21-25-11-17(12-26-21)22(5,23)24)20(31)18-8-7-14(2)16(4)19(18)30-27-9-10-28-30;1-5-28(16(3)14-31-21-25-12-17(13-26-21)22(4,23)24)20(30)18-11-15(2)7-8-19(18)29-10-6-9-27-29;1-5-28(15(3)13-31-20-24-11-16(12-25-20)21(4,22)23)19(30)17-10-14(2)6-7-18(17)29-26-8-9-27-29;1-4-28(13(2)12-31-19-24-10-14(11-25-19)20(3,22)23)18(30)16-6-5-15(21)9-17(16)29-26-7-8-27-29;1-4-28(13(2)12-31-19-24-10-14(11-25-19)20(3,22)23)18(30)15-6-5-7-16(21)17(15)29-26-8-9-27-29/h7-12,16H,6,13H2,1-5H3;7-12,15H,6,13H2,1-5H3;6-13,16H,5,14H2,1-4H3;6-12,15H,5,13H2,1-4H3;2*5-11,13H,4,12H2,1-3H3/t16-;15-;16-;15-;2*13-/m000000/s1
InChIKeyWBRAWPFTPYZVFA-LJNBIMNFSA-N
MW2617.75 g/mol
LogP21.33
Rot. Bonds48

About N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide

N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 161459983) has the molecular formula C127H143F14N35O12 and a molecular weight of 2617.75 g/mol. Its IUPAC name is N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID161459983
Molecular FormulaC127H143F14N35O12
Molecular Weight2617.75 g/mol
Exact Mass2616.14
IUPAC NameN-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)c(C)cc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1cccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(C)c(C)c1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1
InChIInChI=1S/2C22H26F2N6O2.C22H25F2N5O2.C21H24F2N6O2.2C20H21F3N6O2/c1-6-29(16(4)13-32-21-25-11-17(12-26-21)22(5,23)24)20(31)18-9-14(2)15(3)10-19(18)30-27-7-8-28-30;1-6-29(15(3)13-32-21-25-11-17(12-26-21)22(5,23)24)20(31)18-8-7-14(2)16(4)19(18)30-27-9-10-28-30;1-5-28(16(3)14-31-21-25-12-17(13-26-21)22(4,23)24)20(30)18-11-15(2)7-8-19(18)29-10-6-9-27-29;1-5-28(15(3)13-31-20-24-11-16(12-25-20)21(4,22)23)19(30)17-10-14(2)6-7-18(17)29-26-8-9-27-29;1-4-28(13(2)12-31-19-24-10-14(11-25-19)20(3,22)23)18(30)16-6-5-15(21)9-17(16)29-26-7-8-27-29;1-4-28(13(2)12-31-19-24-10-14(11-25-19)20(3,22)23)18(30)15-6-5-7-16(21)17(15)29-26-8-9-27-29/h7-12,16H,6,13H2,1-5H3;7-12,15H,6,13H2,1-5H3;6-13,16H,5,14H2,1-4H3;6-12,15H,5,13H2,1-4H3;2*5-11,13H,4,12H2,1-3H3/t16-;15-;16-;15-;2*13-/m000000/s1
InChIKeyWBRAWPFTPYZVFA-LJNBIMNFSA-N
XLogP21.33
TPSA503.29 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds48
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002617.75
LogP ≤ 521.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

Orn-0829 hydrate
CID 154572855
(3-Fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-5-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157287011
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157356270
(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-methyl-N-(4-methylphenyl)-5-[3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;bis(N-(4-methylphenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide);N-(4-methylphenyl)-5-(3-pyrimidin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157377466
[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
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
CID 157662133
CID 157662133
N-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157779105
CID 157784565
CID 157784565
1-(2-methoxyethyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-[4-(methylcarbamoyl)phenyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(morpholine-4-carbonyl)phenyl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-morpholin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-oxo-1-(pyridin-3-ylmethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-piperidin-1-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 157886874
[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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide (CID 161459983) is N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(C)c(C)cc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1cccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(C)c(C)c1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1ccc(F)cc1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)COc1ncc(C(C)(F)F)cn1.
What is the InChIKey of N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is WBRAWPFTPYZVFA-LJNBIMNFSA-N. The full InChI is InChI=1S/2C22H26F2N6O2.C22H25F2N5O2.C21H24F2N6O2.2C20H21F3N6O2/c1-6-29(16(4)13-32-21-25-11-17(12-26-21)22(5,23)24)20(31)18-9-14(2)15(3)10-19(18)30-27-7-8-28-30;1-6-29(15(3)13-32-21-25-11-17(12-26-21)22(5,23)24)20(31)18-8-7-14(2)16(4)19(18)30-27-9-10-28-30;1-5-28(16(3)14-31-21-25-12-17(13-26-21)22(4,23)24)20(30)18-11-15(2)7-8-19(18)29-10-6-9-27-29;1-5-28(15(3)13-31-20-24-11-16(12-25-20)21(4,22)23)19(30)17-10-14(2)6-7-18(17)29-26-8-9-27-29;1-4-28(13(2)12-31-19-24-10-14(11-25-19)20(3,22)23)18(30)16-6-5-15(21)9-17(16)29-26-7-8-27-29;1-4-28(13(2)12-31-19-24-10-14(11-25-19)20(3,22)23)18(30)15-6-5-7-16(21)17(15)29-26-8-9-27-29/h7-12,16H,6,13H2,1-5H3;7-12,15H,6,13H2,1-5H3;6-13,16H,5,14H2,1-4H3;6-12,15H,5,13H2,1-4H3;2*5-11,13H,4,12H2,1-3H3/t16-;15-;16-;15-;2*13-/m000000/s1.
What are the key properties of N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide?
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 2617.75 g/mol, XLogP of 21.33, 48 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4,5-dimethyl-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-4-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-pyrazol-1-ylbenzamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 161459983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).