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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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

C132H141F18N33O6 — CID 159709130

IUPACN-[(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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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-c1ncccn1)[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-c1ncccn1)[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)c1cccc(F)c1-c1ncccn1)[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/3C23H24F3N5O.C21H22F4N6O.C21H23F3N6O.C21H24F2N6O/c1-4-31(15(2)6-9-20-29-13-16(14-30-20)23(3,25)26)22(32)19-12-17(24)7-8-18(19)21-27-10-5-11-28-21;1-4-31(15(2)9-10-19-29-13-16(14-30-19)23(3,25)26)22(32)17-7-5-8-18(24)20(17)21-27-11-6-12-28-21;1-4-31(15(2)9-10-19-29-13-16(14-30-19)23(3,25)26)22(32)20-17(7-5-8-18(20)24)21-27-11-6-12-28-21;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;1-4-28(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/h5,7-8,10-15H,4,6,9H2,1-3H3;2*5-8,11-15H,4,9-10H2,1-3H3;7-13H,4-6H2,1-3H3;6-7,9-14H,4-5,8H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t3*15-;13-;14-;15-/m000000/s1
InChIKeyMYPJCYWPXXEDMY-LAVKXSAZSA-N
MW2627.77 g/mol
LogP25.38
Rot. Bonds48

About 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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

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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 159709130) has the molecular formula C132H141F18N33O6 and a molecular weight of 2627.77 g/mol. Its IUPAC name is 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 NameN-[(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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 CID159709130
Molecular FormulaC132H141F18N33O6
Molecular Weight2627.77 g/mol
Exact Mass2626.15
IUPAC NameN-[(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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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-c1ncccn1)[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-c1ncccn1)[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)c1cccc(F)c1-c1ncccn1)[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/3C23H24F3N5O.C21H22F4N6O.C21H23F3N6O.C21H24F2N6O/c1-4-31(15(2)6-9-20-29-13-16(14-30-20)23(3,25)26)22(32)19-12-17(24)7-8-18(19)21-27-10-5-11-28-21;1-4-31(15(2)9-10-19-29-13-16(14-30-19)23(3,25)26)22(32)17-7-5-8-18(24)20(17)21-27-11-6-12-28-21;1-4-31(15(2)9-10-19-29-13-16(14-30-19)23(3,25)26)22(32)20-17(7-5-8-18(20)24)21-27-11-6-12-28-21;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;1-4-28(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/h5,7-8,10-15H,4,6,9H2,1-3H3;2*5-8,11-15H,4,9-10H2,1-3H3;7-13H,4-6H2,1-3H3;6-7,9-14H,4-5,8H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t3*15-;13-;14-;15-/m000000/s1
InChIKeyMYPJCYWPXXEDMY-LAVKXSAZSA-N
XLogP25.38
TPSA446.01 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds48
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002627.77
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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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Launch Full Analysis

Related Compounds

2-[4-[[4-[4-[(3E)-3-[(5E)-5-[[1-difluoroboranyl-5-[[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]pyrazol-1-yl]-1-methylpiperidin-2-yl]methyl]-3-methylpyrrol-2-yl]methylidene]pyrrol-2-ylidene]propanoyl]piperazin-1-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)anilino]-10-fluoro-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 123191102
[3-[[2-[2-[2-[[(5-Chloropyridin-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]-4-fluorophenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123200048
[3-[[2-[2-[4,4-Difluoro-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carbonyl]-4-methylphenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123233507
[5-Fluoro-2-[4-[[1-[6-fluoro-3-methyl-2-(triazol-2-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-3-methylphenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123753847
1-[5-(azetidine-1-carbonyl)-3-pyridinyl]-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 129104306
2-[4-[[4-[4-[3-[12-[[4-[4-[(5,11-Dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]pyrazol-1-yl]-1-methylpiperidin-2-yl]methyl]-2,2-difluoro-10-methyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl]propanoyl]piperazin-1-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)anilino]-10-fluoro-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 144712590
2-[2-[2-[2-[[1-(1-Acetylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 144903490
(2-imidazol-1-yl-5-methylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;[5-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 145622366
[2,3-difluoro-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
CID 147351571
[4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
CID 147474465
[3-fluoro-2-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
CID 147699669
[2-(Triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 147733018

Frequently Asked Questions

What is the IUPAC name of 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 159709130) is 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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-c1ncccn1)[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-c1ncccn1)[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)c1cccc(F)c1-c1ncccn1)[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 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 MYPJCYWPXXEDMY-LAVKXSAZSA-N. The full InChI is InChI=1S/3C23H24F3N5O.C21H22F4N6O.C21H23F3N6O.C21H24F2N6O/c1-4-31(15(2)6-9-20-29-13-16(14-30-20)23(3,25)26)22(32)19-12-17(24)7-8-18(19)21-27-10-5-11-28-21;1-4-31(15(2)9-10-19-29-13-16(14-30-19)23(3,25)26)22(32)17-7-5-8-18(24)20(17)21-27-11-6-12-28-21;1-4-31(15(2)9-10-19-29-13-16(14-30-19)23(3,25)26)22(32)20-17(7-5-8-18(20)24)21-27-11-6-12-28-21;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;1-4-28(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/h5,7-8,10-15H,4,6,9H2,1-3H3;2*5-8,11-15H,4,9-10H2,1-3H3;7-13H,4-6H2,1-3H3;6-7,9-14H,4-5,8H2,1-3H3;5-8,11-15H,4,9-10H2,1-3H3/t3*15-;13-;14-;15-/m000000/s1.
What are the key properties of 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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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?
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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 2627.77 g/mol, XLogP of 25.38, 48 rotatable bonds, 0 hydrogen bond donors, and 33 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-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-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;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 159709130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).