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

C98H109F12N27O4 — CID 159570678

IUPAC(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESC.CC(C)[C@H]1CCC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccnc(C(F)(F)F)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3ccc(-c4ccnc(C(F)(F)F)c4)cn3)CC2)n1.[2H]C([2H])(C)N1C[C@H](C(C)C)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(C(F)(F)F)cc4)cn3)n2)C1=O.[2H]C1(C)NC(=O)N(c2ccnc(N[C@@H](C)c3ccc(-c4ccnc(C(F)(F)F)c4)cn3)n2)[C@H]1C(C)C
InChIInChI=1S/C25H26F3N7O.C24H26F3N7O.C24H28F3N7O.C24H25F3N6O.CH4/c1-15(2)18-14-34(3)23(36)35(18)21-7-11-30-22(32-21)33-24(8-9-24)19-5-4-17(13-31-19)16-6-10-29-20(12-16)25(26,27)28;1-13(2)21-15(4)32-23(35)34(21)20-8-10-29-22(33-20)31-14(3)18-6-5-17(12-30-18)16-7-9-28-19(11-16)24(25,26)27;1-5-32-13-20(15(2)3)34(23(32)35)21-10-11-28-22(31-21)30-16(4)19-12-33(14-29-19)18-8-6-17(7-9-18)24(25,26)27;1-14(2)19-6-7-22(34)33(19)21-9-11-29-23(32-21)31-15(3)18-5-4-17(13-30-18)16-8-10-28-20(12-16)24(25,26)27;/h4-7,10-13,15,18H,8-9,14H2,1-3H3,(H,30,32,33);5-15,21H,1-4H3,(H,32,35)(H,29,31,33);6-12,14-16,20H,5,13H2,1-4H3,(H,28,30,31);4-5,8-15,19H,6-7H2,1-3H3,(H,29,31,32);1H4/t18-;14-,15?,21-;16-,20+;15-,19+;/m1000./s1/i;15D;5D2;;
InChIKeyMHTSBHYREGVWOO-AGNGUEKHSA-N
MW1960.13 g/mol
LogP21.07
Rot. Bonds25

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

(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 159570678) has the molecular formula C98H109F12N27O4 and a molecular weight of 1960.13 g/mol. Its IUPAC name is (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID159570678
Molecular FormulaC98H109F12N27O4
Molecular Weight1960.13 g/mol
Exact Mass1958.92
IUPAC Name(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESC.CC(C)[C@H]1CCC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccnc(C(F)(F)F)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3ccc(-c4ccnc(C(F)(F)F)c4)cn3)CC2)n1.[2H]C([2H])(C)N1C[C@H](C(C)C)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(C(F)(F)F)cc4)cn3)n2)C1=O.[2H]C1(C)NC(=O)N(c2ccnc(N[C@@H](C)c3ccc(-c4ccnc(C(F)(F)F)c4)cn3)n2)[C@H]1C(C)C
InChIInChI=1S/C25H26F3N7O.C24H26F3N7O.C24H28F3N7O.C24H25F3N6O.CH4/c1-15(2)18-14-34(3)23(36)35(18)21-7-11-30-22(32-21)33-24(8-9-24)19-5-4-17(13-31-19)16-6-10-29-20(12-16)25(26,27)28;1-13(2)21-15(4)32-23(35)34(21)20-8-10-29-22(33-20)31-14(3)18-6-5-17(12-30-18)16-7-9-28-19(11-16)24(25,26)27;1-5-32-13-20(15(2)3)34(23(32)35)21-10-11-28-22(31-21)30-16(4)19-12-33(14-29-19)18-8-6-17(7-9-18)24(25,26)27;1-14(2)19-6-7-22(34)33(19)21-9-11-29-23(32-21)31-15(3)18-5-4-17(13-30-18)16-8-10-28-20(12-16)24(25,26)27;/h4-7,10-13,15,18H,8-9,14H2,1-3H3,(H,30,32,33);5-15,21H,1-4H3,(H,32,35)(H,29,31,33);6-12,14-16,20H,5,13H2,1-4H3,(H,28,30,31);4-5,8-15,19H,6-7H2,1-3H3,(H,29,31,32);1H4/t18-;14-,15?,21-;16-,20+;15-,19+;/m1000./s1/i;15D;5D2;;
InChIKeyMHTSBHYREGVWOO-AGNGUEKHSA-N
XLogP21.07
TPSA346.15 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.13
LogP ≤ 521.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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

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Related Compounds

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US11071730, Example 180
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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
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
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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
[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
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[(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
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4-[3-[(2S)-5-[2-[[4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]benzoyl]amino]pyridin-4-yl]-1-prop-2-enoylpiperidin-2-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
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4-(3,3-dimethylazetidin-1-yl)-5-(4-fluorophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one;ethane;5-(4-fluorophenyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-6-one;molecular hydrogen
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1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R,4R)-4-(2-aminoethyl)-3-methylpiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (CID 159570678) is (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is C.CC(C)[C@H]1CCC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3ccnc(C(F)(F)F)c3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3ccc(-c4ccnc(C(F)(F)F)c4)cn3)CC2)n1.[2H]C([2H])(C)N1C[C@H](C(C)C)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(C(F)(F)F)cc4)cn3)n2)C1=O.[2H]C1(C)NC(=O)N(c2ccnc(N[C@@H](C)c3ccc(-c4ccnc(C(F)(F)F)c4)cn3)n2)[C@H]1C(C)C.
What is the InChIKey of (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is MHTSBHYREGVWOO-AGNGUEKHSA-N. The full InChI is InChI=1S/C25H26F3N7O.C24H26F3N7O.C24H28F3N7O.C24H25F3N6O.CH4/c1-15(2)18-14-34(3)23(36)35(18)21-7-11-30-22(32-21)33-24(8-9-24)19-5-4-17(13-31-19)16-6-10-29-20(12-16)25(26,27)28;1-13(2)21-15(4)32-23(35)34(21)20-8-10-29-22(33-20)31-14(3)18-6-5-17(12-30-18)16-7-9-28-19(11-16)24(25,26)27;1-5-32-13-20(15(2)3)34(23(32)35)21-10-11-28-22(31-21)30-16(4)19-12-33(14-29-19)18-8-6-17(7-9-18)24(25,26)27;1-14(2)19-6-7-22(34)33(19)21-9-11-29-23(32-21)31-15(3)18-5-4-17(13-30-18)16-8-10-28-20(12-16)24(25,26)27;/h4-7,10-13,15,18H,8-9,14H2,1-3H3,(H,30,32,33);5-15,21H,1-4H3,(H,32,35)(H,29,31,33);6-12,14-16,20H,5,13H2,1-4H3,(H,28,30,31);4-5,8-15,19H,6-7H2,1-3H3,(H,29,31,32);1H4/t18-;14-,15?,21-;16-,20+;15-,19+;/m1000./s1/i;15D;5D2;;.
What are the key properties of (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 1960.13 g/mol, XLogP of 21.07, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(4S)-1-(1,1-dideuterioethyl)-4-propan-2-yl-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one;methane;(4S)-1-methyl-4-propan-2-yl-3-[2-[[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]cyclopropyl]amino]pyrimidin-4-yl]imidazolidin-2-one;(5R)-5-propan-2-yl-1-[2-[[(1S)-1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 159570678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).