(4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one

C96H110F12N26O4 — CID 158949271

IUPAC(4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESCC(C)[C@H]1[C@@H](C)CC(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@H](C)CC(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1
InChIInChI=1S/2C24H28F3N7O.2C24H27F3N6O/c2*1-14(2)21-16(4)32(5)23(35)34(21)20-10-11-28-22(31-20)30-15(3)19-12-33(13-29-19)18-8-6-17(7-9-18)24(25,26)27;2*1-14(2)22-15(3)11-21(34)33(22)20-9-10-28-23(31-20)30-16(4)19-12-32(13-29-19)18-7-5-17(6-8-18)24(25,26)27/h2*6-16,21H,1-5H3,(H,28,30,31);2*5-10,12-16,22H,11H2,1-4H3,(H,28,30,31)/t15-,16+,21-;15-,16-,21-;15-,16+,22+;15-,16-,22-/m0010/s1
InChIKeyJLFHXAWOGHQSEI-DYTAXFPSSA-N
MW1920.09 g/mol
LogP20.78
Rot. Bonds24

About (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one

(4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 158949271) has the molecular formula C96H110F12N26O4 and a molecular weight of 1920.09 g/mol. Its IUPAC name is (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID158949271
Molecular FormulaC96H110F12N26O4
Molecular Weight1920.09 g/mol
Exact Mass1918.90
IUPAC Name(4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESCC(C)[C@H]1[C@@H](C)CC(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@H](C)CC(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1
InChIInChI=1S/2C24H28F3N7O.2C24H27F3N6O/c2*1-14(2)21-16(4)32(5)23(35)34(21)20-10-11-28-22(31-20)30-15(3)19-12-33(13-29-19)18-8-6-17(7-9-18)24(25,26)27;2*1-14(2)22-15(3)11-21(34)33(22)20-9-10-28-23(31-20)30-16(4)19-12-32(13-29-19)18-7-5-17(6-8-18)24(25,26)27/h2*6-16,21H,1-5H3,(H,28,30,31);2*5-10,12-16,22H,11H2,1-4H3,(H,28,30,31)/t15-,16+,21-;15-,16-,21-;15-,16+,22+;15-,16-,22-/m0010/s1
InChIKeyJLFHXAWOGHQSEI-DYTAXFPSSA-N
XLogP20.78
TPSA310.24 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.09
LogP ≤ 520.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one with MolForge

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Related Compounds

(2S)-3-methyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-one
CID 25229715
methyl N-[(1R)-2-[(2S)-2-[5-[3,5-difluoro-4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 58449680
methyl N-[(2S)-1-[(2S)-2-[5-[4-[1-[6-(4,4-difluoropiperidin-1-yl)pyridin-3-yl]-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59616769
methyl N-[1-[2-[5-[4-[1-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-5-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 72339801
methyl N-[2-[2-[5-[3,5-difluoro-4-[4-[2-[1-[2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 76789165
4-{4-[1-(2-dimethylamino-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]piperidin-1-yl}-5,7-dihydro-pyrrolo[2,3-d]-pyrimidin-6-one hemihydrate
CID 87330609
Bis(4-[4-[1-[2-(dimethylamino)ethyl]-4-[4-fluoro-2-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one);hydrate
CID 88851881
azetidin-2-yl-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-[4-[[5-[2-(4-fluorophenyl)-3-(4-methylanilino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]pyrrolidin-3-yl]methyl]anilino]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 123274190
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
[(1R,4R,7R)-7-[[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-ethyl-7-fluorobenzimidazol-2-yl]-1-ethylpyrrolo[2,3-b]pyridin-6-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 129230112
[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (CID 158949271) is (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is CC(C)[C@H]1[C@@H](C)CC(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@H](C)CC(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.CC(C)[C@H]1[C@H](C)N(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(C(F)(F)F)cc3)cn2)n1.
What is the InChIKey of (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is JLFHXAWOGHQSEI-DYTAXFPSSA-N. The full InChI is InChI=1S/2C24H28F3N7O.2C24H27F3N6O/c2*1-14(2)21-16(4)32(5)23(35)34(21)20-10-11-28-22(31-20)30-15(3)19-12-33(13-29-19)18-8-6-17(7-9-18)24(25,26)27;2*1-14(2)22-15(3)11-21(34)33(22)20-9-10-28-23(31-20)30-16(4)19-12-32(13-29-19)18-7-5-17(6-8-18)24(25,26)27/h2*6-16,21H,1-5H3,(H,28,30,31);2*5-10,12-16,22H,11H2,1-4H3,(H,28,30,31)/t15-,16+,21-;15-,16-,21-;15-,16+,22+;15-,16-,22-/m0010/s1.
What are the key properties of (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
(4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 1920.09 g/mol, XLogP of 20.78, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S,5R)-1,5-dimethyl-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4R,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one;(4S,5S)-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 158949271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).