2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C187H173F28N43O17S — CID 159100874

IUPAC2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC=S(C)(=O)CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CC(C)(C)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CN(C)C(=O)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.COc1cccc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1.O=C(Cc1ccc(-c2cnc(Cc3cnn(CCN4CCCCC4)c3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C30H31F4N7O2.C28H28F4N6O2.C27H25F4N7O3.C27H26F4N6O3S.C26H21F4N5O3.C25H22F4N6O2.C24H20F4N6O2/c31-24-13-21(4-5-22(24)14-28(42)38-27-15-25(43-39-27)29(6-7-29)30(32,33)34)23-17-35-26(36-18-23)12-20-16-37-41(19-20)11-10-40-8-2-1-3-9-40;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(2)25(40)15-38-14-16(11-34-38)7-22-32-12-19(13-33-22)17-3-4-18(20(28)8-17)9-24(39)35-23-10-21(41-36-23)26(5-6-26)27(29,30)31;1-41(2,39)8-7-37-16-17(13-34-37)9-23-32-14-20(15-33-23)18-3-4-19(21(28)10-18)11-25(38)35-24-12-22(40-36-24)26(5-6-26)27(29,30)31;1-37-24-4-2-3-18(33-24)11-21-31-13-17(14-32-21)15-5-6-16(19(27)9-15)10-23(36)34-22-12-20(38-35-22)25(7-8-25)26(28,29)30;1-14-17(13-35(2)33-14)8-21-30-11-18(12-31-21)15-3-4-16(19(26)7-15)9-23(36)32-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-34-12-17(31-13-34)8-20-29-10-16(11-30-20)14-2-3-15(18(25)6-14)7-22(35)32-21-9-19(36-33-21)23(4-5-23)24(26,27)28/h4-5,13,15-19H,1-3,6-12,14H2,(H,38,39,42);4-5,9,11-15H,6-8,10,16H2,1-3H3,(H,36,37,39);3-4,8,10-14H,5-7,9,15H2,1-2H3,(H,35,36,39);3-4,10,12-16H,1,5-9,11H2,2H3,(H,35,36,38);2-6,9,12-14H,7-8,10-11H2,1H3,(H,34,35,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36);2-3,6,9-13H,4-5,7-8H2,1H3,(H,32,33,35)
InChIKeyKDGMJIVZVCPMBW-UHFFFAOYSA-N
MW3858.74 g/mol
LogP33.39
Rot. Bonds59

About 2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 159100874) has the molecular formula C187H173F28N43O17S and a molecular weight of 3858.74 g/mol. Its IUPAC name is 2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-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-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID159100874
Molecular FormulaC187H173F28N43O17S
Molecular Weight3858.74 g/mol
Exact Mass3856.33
IUPAC Name2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESC=S(C)(=O)CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CC(C)(C)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CN(C)C(=O)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.COc1cccc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1.O=C(Cc1ccc(-c2cnc(Cc3cnn(CCN4CCCCC4)c3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1
InChIInChI=1S/C30H31F4N7O2.C28H28F4N6O2.C27H25F4N7O3.C27H26F4N6O3S.C26H21F4N5O3.C25H22F4N6O2.C24H20F4N6O2/c31-24-13-21(4-5-22(24)14-28(42)38-27-15-25(43-39-27)29(6-7-29)30(32,33)34)23-17-35-26(36-18-23)12-20-16-37-41(19-20)11-10-40-8-2-1-3-9-40;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(2)25(40)15-38-14-16(11-34-38)7-22-32-12-19(13-33-22)17-3-4-18(20(28)8-17)9-24(39)35-23-10-21(41-36-23)26(5-6-26)27(29,30)31;1-41(2,39)8-7-37-16-17(13-34-37)9-23-32-14-20(15-33-23)18-3-4-19(21(28)10-18)11-25(38)35-24-12-22(40-36-24)26(5-6-26)27(29,30)31;1-37-24-4-2-3-18(33-24)11-21-31-13-17(14-32-21)15-5-6-16(19(27)9-15)10-23(36)34-22-12-20(38-35-22)25(7-8-25)26(28,29)30;1-14-17(13-35(2)33-14)8-21-30-11-18(12-31-21)15-3-4-16(19(26)7-15)9-23(36)32-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-34-12-17(31-13-34)8-20-29-10-16(11-30-20)14-2-3-15(18(25)6-14)7-22(35)32-21-9-19(36-33-21)23(4-5-23)24(26,27)28/h4-5,13,15-19H,1-3,6-12,14H2,(H,38,39,42);4-5,9,11-15H,6-8,10,16H2,1-3H3,(H,36,37,39);3-4,8,10-14H,5-7,9,15H2,1-2H3,(H,35,36,39);3-4,10,12-16H,1,5-9,11H2,2H3,(H,35,36,38);2-6,9,12-14H,7-8,10-11H2,1H3,(H,34,35,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36);2-3,6,9-13H,4-5,7-8H2,1H3,(H,32,33,35)
InChIKeyKDGMJIVZVCPMBW-UHFFFAOYSA-N
XLogP33.39
TPSA736.03 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds59
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003858.74
LogP ≤ 533.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze 2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-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-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-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-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 159100874) is 2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-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-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-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-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is C=S(C)(=O)CCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CC(C)(C)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.CN(C)C(=O)Cn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.COc1cccc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n1.Cc1nn(C)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.Cn1cnc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1.O=C(Cc1ccc(-c2cnc(Cc3cnn(CCN4CCCCC4)c3)nc2)cc1F)Nc1cc(C2(C(F)(F)F)CC2)on1.
What is the InChIKey of 2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is KDGMJIVZVCPMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F4N7O2.C28H28F4N6O2.C27H25F4N7O3.C27H26F4N6O3S.C26H21F4N5O3.C25H22F4N6O2.C24H20F4N6O2/c31-24-13-21(4-5-22(24)14-28(42)38-27-15-25(43-39-27)29(6-7-29)30(32,33)34)23-17-35-26(36-18-23)12-20-16-37-41(19-20)11-10-40-8-2-1-3-9-40;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(2)25(40)15-38-14-16(11-34-38)7-22-32-12-19(13-33-22)17-3-4-18(20(28)8-17)9-24(39)35-23-10-21(41-36-23)26(5-6-26)27(29,30)31;1-41(2,39)8-7-37-16-17(13-34-37)9-23-32-14-20(15-33-23)18-3-4-19(21(28)10-18)11-25(38)35-24-12-22(40-36-24)26(5-6-26)27(29,30)31;1-37-24-4-2-3-18(33-24)11-21-31-13-17(14-32-21)15-5-6-16(19(27)9-15)10-23(36)34-22-12-20(38-35-22)25(7-8-25)26(28,29)30;1-14-17(13-35(2)33-14)8-21-30-11-18(12-31-21)15-3-4-16(19(26)7-15)9-23(36)32-22-10-20(37-34-22)24(5-6-24)25(27,28)29;1-34-12-17(31-13-34)8-20-29-10-16(11-30-20)14-2-3-15(18(25)6-14)7-22(35)32-21-9-19(36-33-21)23(4-5-23)24(26,27)28/h4-5,13,15-19H,1-3,6-12,14H2,(H,38,39,42);4-5,9,11-15H,6-8,10,16H2,1-3H3,(H,36,37,39);3-4,8,10-14H,5-7,9,15H2,1-2H3,(H,35,36,39);3-4,10,12-16H,1,5-9,11H2,2H3,(H,35,36,38);2-6,9,12-14H,7-8,10-11H2,1H3,(H,34,35,36);3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36);2-3,6,9-13H,4-5,7-8H2,1H3,(H,32,33,35).
What are the key properties of 2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 3858.74 g/mol, XLogP of 33.39, 59 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-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-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[(6-methoxy-2-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-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-[2-(methyl-methylidene-oxo-λ6-sulfanyl)ethyl]pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;2-[2-fluoro-4-[2-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 159100874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).