(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C140H167F13N30O10 — CID 167622376

IUPAC(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cn2)n1.CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(-c3cc(C(C)(C)C)nc(C(F)(F)F)c3)cn2)n1.Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ncc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1.Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@H](C)F)n2)ncc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1.Cc1nc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ccc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1
InChIInChI=1S/C30H40N6O2.2C28H33F3N6O2.C27H30F4N6O2.C27H31F3N6O2/c1-18(2)23-17-38-28(37)36(23)26-12-13-31-27(35-26)33-19(3)22-11-10-20(16-32-22)21-14-24(29(4,5)6)34-25(15-21)30(7,8)9;1-15(2)21-14-39-26(38)37(21)24-8-9-32-25(36-24)34-17(4)20-10-16(3)19(13-33-20)18-11-22(27(5,6)7)35-23(12-18)28(29,30)31;1-15(2)21-14-39-26(38)37(21)24-10-11-32-25(36-24)34-17(4)20-9-8-19(16(3)33-20)18-12-22(27(5,6)7)35-23(13-18)28(29,30)31;1-14-9-19(33-12-18(14)17-10-21(26(4,5)6)35-22(11-17)27(29,30)31)16(3)34-24-32-8-7-23(36-24)37-20(15(2)28)13-39-25(37)38;1-7-18-14-38-25(37)36(18)23-8-9-31-24(35-23)33-16(3)20-10-15(2)19(13-32-20)17-11-21(26(4,5)6)34-22(12-17)27(28,29)30/h10-16,18-19,23H,17H2,1-9H3,(H,31,33,35);2*8-13,15,17,21H,14H2,1-7H3,(H,32,34,36);7-12,15-16,20H,13H2,1-6H3,(H,32,34,36);8-13,16,18H,7,14H2,1-6H3,(H,31,33,35)/t19-,23+;2*17-,21+;15-,16-,20+;16-,18-/m00000/s1
InChIKeyMPUYQWLFPSPXSQ-AYFRTPALSA-N
MW2677.05 g/mol
LogP32.99
Rot. Bonds30

About (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 167622376) has the molecular formula C140H167F13N30O10 and a molecular weight of 2677.05 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID167622376
Molecular FormulaC140H167F13N30O10
Molecular Weight2677.05 g/mol
Exact Mass2675.33
IUPAC Name(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cn2)n1.CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(-c3cc(C(C)(C)C)nc(C(F)(F)F)c3)cn2)n1.Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ncc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1.Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@H](C)F)n2)ncc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1.Cc1nc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ccc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1
InChIInChI=1S/C30H40N6O2.2C28H33F3N6O2.C27H30F4N6O2.C27H31F3N6O2/c1-18(2)23-17-38-28(37)36(23)26-12-13-31-27(35-26)33-19(3)22-11-10-20(16-32-22)21-14-24(29(4,5)6)34-25(15-21)30(7,8)9;1-15(2)21-14-39-26(38)37(21)24-8-9-32-25(36-24)34-17(4)20-10-16(3)19(13-33-20)18-11-22(27(5,6)7)35-23(12-18)28(29,30)31;1-15(2)21-14-39-26(38)37(21)24-10-11-32-25(36-24)34-17(4)20-9-8-19(16(3)33-20)18-12-22(27(5,6)7)35-23(13-18)28(29,30)31;1-14-9-19(33-12-18(14)17-10-21(26(4,5)6)35-22(11-17)27(29,30)31)16(3)34-24-32-8-7-23(36-24)37-20(15(2)28)13-39-25(37)38;1-7-18-14-38-25(37)36(18)23-8-9-31-24(35-23)33-16(3)20-10-15(2)19(13-32-20)17-11-21(26(4,5)6)34-22(12-17)27(28,29)30/h10-16,18-19,23H,17H2,1-9H3,(H,31,33,35);2*8-13,15,17,21H,14H2,1-7H3,(H,32,34,36);7-12,15-16,20H,13H2,1-6H3,(H,32,34,36);8-13,16,18H,7,14H2,1-6H3,(H,31,33,35)/t19-,23+;2*17-,21+;15-,16-,20+;16-,18-/m00000/s1
InChIKeyMPUYQWLFPSPXSQ-AYFRTPALSA-N
XLogP32.99
TPSA465.65 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds30
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002677.05
LogP ≤ 532.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 167622376) is (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cc(C(C)(C)C)nc(C(C)(C)C)c3)cn2)n1.CC[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(C)c(-c3cc(C(C)(C)C)nc(C(F)(F)F)c3)cn2)n1.Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ncc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1.Cc1cc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@H](C)F)n2)ncc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1.Cc1nc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)ccc1-c1cc(C(C)(C)C)nc(C(F)(F)F)c1.
What is the InChIKey of (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MPUYQWLFPSPXSQ-AYFRTPALSA-N. The full InChI is InChI=1S/C30H40N6O2.2C28H33F3N6O2.C27H30F4N6O2.C27H31F3N6O2/c1-18(2)23-17-38-28(37)36(23)26-12-13-31-27(35-26)33-19(3)22-11-10-20(16-32-22)21-14-24(29(4,5)6)34-25(15-21)30(7,8)9;1-15(2)21-14-39-26(38)37(21)24-8-9-32-25(36-24)34-17(4)20-10-16(3)19(13-33-20)18-11-22(27(5,6)7)35-23(12-18)28(29,30)31;1-15(2)21-14-39-26(38)37(21)24-10-11-32-25(36-24)34-17(4)20-9-8-19(16(3)33-20)18-12-22(27(5,6)7)35-23(13-18)28(29,30)31;1-14-9-19(33-12-18(14)17-10-21(26(4,5)6)35-22(11-17)27(29,30)31)16(3)34-24-32-8-7-23(36-24)37-20(15(2)28)13-39-25(37)38;1-7-18-14-38-25(37)36(18)23-8-9-31-24(35-23)33-16(3)20-10-15(2)19(13-32-20)17-11-21(26(4,5)6)34-22(12-17)27(28,29)30/h10-16,18-19,23H,17H2,1-9H3,(H,31,33,35);2*8-13,15,17,21H,14H2,1-7H3,(H,32,34,36);7-12,15-16,20H,13H2,1-6H3,(H,32,34,36);8-13,16,18H,7,14H2,1-6H3,(H,31,33,35)/t19-,23+;2*17-,21+;15-,16-,20+;16-,18-/m00000/s1.
What are the key properties of (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 2677.05 g/mol, XLogP of 32.99, 30 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one;(4R)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-[(1S)-1-fluoroethyl]-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-4-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-[2-tert-butyl-6-(trifluoromethyl)-4-pyridinyl]-6-methyl-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-[2-[[(1S)-1-[5-(2,6-ditert-butyl-4-pyridinyl)-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 167622376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).