2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C179H165F25N42O15 — CID 161237525

IUPAC2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(C)(C)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)c(F)c2)cn1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)no3)c(F)c2)cn1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c(F)c3)cn2)c1.Cn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n1.O=C(Cc1ccc(-c2cnc(Cc3cnn(C4CCCC4)c3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26F4N6O2.C28H28F4N6O2.C26H21F4N5O3.C25H24F4N6O2.C25H25FN6O2.C24H22F4N6O2.C23H19F4N7O2/c29-22-10-18(20-14-33-24(34-15-20)9-17-13-35-38(16-17)21-3-1-2-4-21)5-6-19(22)11-26(39)36-25-12-23(40-37-25)27(7-8-27)28(30,31)32;1-26(2,3)16-38-15-17(12-35-38)8-23-33-13-20(14-34-23)18-4-5-19(21(29)9-18)10-25(39)36-24-11-22(40-37-24)27(6-7-27)28(30,31)32;1-37-24-9-15(4-7-31-24)8-21-32-13-18(14-33-21)16-2-3-17(19(27)10-16)11-23(36)34-22-12-20(38-35-22)25(5-6-25)26(28,29)30;1-14-17(13-35(4)33-14)8-21-30-11-18(12-31-21)15-5-6-16(19(26)7-15)9-23(36)32-22-10-20(37-34-22)24(2,3)25(27,28)29;1-15-18(14-32(3)30-15)9-22-27-12-19(13-28-22)16-4-5-17(20(26)8-16)10-23(33)29-24-11-21(31-34-24)25(2)6-7-25;1-23(2,24(26,27)28)19-9-21(33-36-19)32-22(35)7-15-5-4-14(6-18(15)25)16-10-29-20(30-11-16)8-17-12-34(3)13-31-17;1-34-30-12-16(32-34)8-19-28-10-15(11-29-19)13-2-3-14(17(24)6-13)7-21(35)31-20-9-18(36-33-20)22(4-5-22)23(25,26)27/h5-6,10,12-16,21H,1-4,7-9,11H2,(H,36,37,39);4-5,9,11-15H,6-8,10,16H2,1-3H3,(H,36,37,39);2-4,7,9-10,12-14H,5-6,8,11H2,1H3,(H,34,35,36);5-7,10-13H,8-9H2,1-4H3,(H,32,34,36);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,29,33);4-6,9-13H,7-8H2,1-3H3,(H,32,33,35);2-3,6,9-12H,4-5,7-8H2,1H3,(H,31,33,35)
InChIKeyUZOMAGRIFXNGGE-UHFFFAOYSA-N
MW3619.52 g/mol
LogP34.31
Rot. Bonds52

About 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 161237525) has the molecular formula C179H165F25N42O15 and a molecular weight of 3619.52 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID161237525
Molecular FormulaC179H165F25N42O15
Molecular Weight3619.52 g/mol
Exact Mass3617.30
IUPAC Name2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(C)(C)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)c(F)c2)cn1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)no3)c(F)c2)cn1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c(F)c3)cn2)c1.Cn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n1.O=C(Cc1ccc(-c2cnc(Cc3cnn(C4CCCC4)c3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C28H26F4N6O2.C28H28F4N6O2.C26H21F4N5O3.C25H24F4N6O2.C25H25FN6O2.C24H22F4N6O2.C23H19F4N7O2/c29-22-10-18(20-14-33-24(34-15-20)9-17-13-35-38(16-17)21-3-1-2-4-21)5-6-19(22)11-26(39)36-25-12-23(40-37-25)27(7-8-27)28(30,31)32;1-26(2,3)16-38-15-17(12-35-38)8-23-33-13-20(14-34-23)18-4-5-19(21(29)9-18)10-25(39)36-24-11-22(40-37-24)27(6-7-27)28(30,31)32;1-37-24-9-15(4-7-31-24)8-21-32-13-18(14-33-21)16-2-3-17(19(27)10-16)11-23(36)34-22-12-20(38-35-22)25(5-6-25)26(28,29)30;1-14-17(13-35(4)33-14)8-21-30-11-18(12-31-21)15-5-6-16(19(26)7-15)9-23(36)32-22-10-20(37-34-22)24(2,3)25(27,28)29;1-15-18(14-32(3)30-15)9-22-27-12-19(13-28-22)16-4-5-17(20(26)8-16)10-23(33)29-24-11-21(31-34-24)25(2)6-7-25;1-23(2,24(26,27)28)19-9-21(33-36-19)32-22(35)7-15-5-4-14(6-18(15)25)16-10-29-20(30-11-16)8-17-12-34(3)13-31-17;1-34-30-12-16(32-34)8-19-28-10-15(11-29-19)13-2-3-14(17(24)6-13)7-21(35)31-20-9-18(36-33-20)22(4-5-22)23(25,26)27/h5-6,10,12-16,21H,1-4,7-9,11H2,(H,36,37,39);4-5,9,11-15H,6-8,10,16H2,1-3H3,(H,36,37,39);2-4,7,9-10,12-14H,5-6,8,11H2,1H3,(H,34,35,36);5-7,10-13H,8-9H2,1-4H3,(H,32,34,36);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,29,33);4-6,9-13H,7-8H2,1-3H3,(H,32,33,35);2-3,6,9-12H,4-5,7-8H2,1H3,(H,31,33,35)
InChIKeyUZOMAGRIFXNGGE-UHFFFAOYSA-N
XLogP34.31
TPSA708.30 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds52
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003619.52
LogP ≤ 534.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

Analyze 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 161237525) is 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CC(C)(C)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)ccn1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)c(F)c2)cn1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C)CC4)no3)c(F)c2)cn1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c(F)c3)cn2)c1.Cn1ncc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n1.O=C(Cc1ccc(-c2cnc(Cc3cnn(C4CCCC4)c3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is UZOMAGRIFXNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N6O2.C28H28F4N6O2.C26H21F4N5O3.C25H24F4N6O2.C25H25FN6O2.C24H22F4N6O2.C23H19F4N7O2/c29-22-10-18(20-14-33-24(34-15-20)9-17-13-35-38(16-17)21-3-1-2-4-21)5-6-19(22)11-26(39)36-25-12-23(40-37-25)27(7-8-27)28(30,31)32;1-26(2,3)16-38-15-17(12-35-38)8-23-33-13-20(14-34-23)18-4-5-19(21(29)9-18)10-25(39)36-24-11-22(40-37-24)27(6-7-27)28(30,31)32;1-37-24-9-15(4-7-31-24)8-21-32-13-18(14-33-21)16-2-3-17(19(27)10-16)11-23(36)34-22-12-20(38-35-22)25(5-6-25)26(28,29)30;1-14-17(13-35(4)33-14)8-21-30-11-18(12-31-21)15-5-6-16(19(26)7-15)9-23(36)32-22-10-20(37-34-22)24(2,3)25(27,28)29;1-15-18(14-32(3)30-15)9-22-27-12-19(13-28-22)16-4-5-17(20(26)8-16)10-23(33)29-24-11-21(31-34-24)25(2)6-7-25;1-23(2,24(26,27)28)19-9-21(33-36-19)32-22(35)7-15-5-4-14(6-18(15)25)16-10-29-20(30-11-16)8-17-12-34(3)13-31-17;1-34-30-12-16(32-34)8-19-28-10-15(11-29-19)13-2-3-14(17(24)6-13)7-21(35)31-20-9-18(36-33-20)22(4-5-22)23(25,26)27/h5-6,10,12-16,21H,1-4,7-9,11H2,(H,36,37,39);4-5,9,11-15H,6-8,10,16H2,1-3H3,(H,36,37,39);2-4,7,9-10,12-14H,5-6,8,11H2,1H3,(H,34,35,36);5-7,10-13H,8-9H2,1-4H3,(H,32,34,36);4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,29,33);4-6,9-13H,7-8H2,1-3H3,(H,32,33,35);2-3,6,9-12H,4-5,7-8H2,1H3,(H,31,33,35).
What are the key properties of 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 3619.52 g/mol, XLogP of 34.31, 52 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-cyclopentylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]acetamide;2-[4-[2-[(1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(2-methyltriazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 161237525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).