1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one

C160H151ClF16N22O11 — CID 160548724

IUPAC1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
SMILESCCC(=O)c1cc(Nc2ncc(F)c(N(C)c3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4F)cc3)n2)ccc1C.CCC(=O)c1cc(Nc2nccc(N(C)c3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4F)cc3)n2)ccc1C.CCC(=O)c1cc(Nc2nccc(N(C)c3ccc(CC(=O)Cc4ccc(Cl)c(C)c4)cc3)n2)ccc1C.Cc1cc(CC(=O)Cc2ccc(N(C)c3ccnc(Nc4ccc(C)c(C(=O)N5CCOCC5)c4)n3)cc2)cc(C(F)(F)F)c1.Cc1cc(CC(=O)Cc2ccc(N(C)c3nc(Nc4ccc(C)c(N5CCCC5=O)c4)ncc3F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H34F3N5O3.C33H31F4N5O2.C31H31ClN4O2.C31H27F5N4O2.C31H28F4N4O2/c1-22-16-25(18-26(17-22)34(35,36)37)20-29(43)19-24-5-8-28(9-6-24)41(3)31-10-11-38-33(40-31)39-27-7-4-23(2)30(21-27)32(44)42-12-14-45-15-13-42;1-20-13-23(15-24(14-20)33(35,36)37)17-27(43)16-22-7-10-26(11-8-22)41(3)31-28(34)19-38-32(40-31)39-25-9-6-21(2)29(18-25)42-12-4-5-30(42)44;1-5-29(38)27-19-24(10-6-20(27)2)34-31-33-15-14-30(35-31)36(4)25-11-7-22(8-12-25)17-26(37)18-23-9-13-28(32)21(3)16-23;1-4-28(42)25-16-22(9-5-18(25)2)38-30-37-17-27(33)29(39-30)40(3)23-10-6-19(7-11-23)13-24(41)15-20-14-21(31(34,35)36)8-12-26(20)32;1-4-28(41)26-18-23(9-5-19(26)2)37-30-36-14-13-29(38-30)39(3)24-10-6-20(7-11-24)15-25(40)17-21-16-22(31(33,34)35)8-12-27(21)32/h4-11,16-18,21H,12-15,19-20H2,1-3H3,(H,38,39,40);6-11,13-15,18-19H,4-5,12,16-17H2,1-3H3,(H,38,39,40);6-16,19H,5,17-18H2,1-4H3,(H,33,34,35);5-12,14,16-17H,4,13,15H2,1-3H3,(H,37,38,39);5-14,16,18H,4,15,17H2,1-3H3,(H,36,37,38)
InChIKeyQXTTULGRDHDWTC-UHFFFAOYSA-N
MW2897.53 g/mol
LogP35.84
Rot. Bonds48

About 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one

1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 160548724) has the molecular formula C160H151ClF16N22O11 and a molecular weight of 2897.53 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
PubChem CID160548724
Molecular FormulaC160H151ClF16N22O11
Molecular Weight2897.53 g/mol
Exact Mass2895.14
IUPAC Name1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
SMILESCCC(=O)c1cc(Nc2ncc(F)c(N(C)c3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4F)cc3)n2)ccc1C.CCC(=O)c1cc(Nc2nccc(N(C)c3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4F)cc3)n2)ccc1C.CCC(=O)c1cc(Nc2nccc(N(C)c3ccc(CC(=O)Cc4ccc(Cl)c(C)c4)cc3)n2)ccc1C.Cc1cc(CC(=O)Cc2ccc(N(C)c3ccnc(Nc4ccc(C)c(C(=O)N5CCOCC5)c4)n3)cc2)cc(C(F)(F)F)c1.Cc1cc(CC(=O)Cc2ccc(N(C)c3nc(Nc4ccc(C)c(N5CCCC5=O)c4)ncc3F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C34H34F3N5O3.C33H31F4N5O2.C31H31ClN4O2.C31H27F5N4O2.C31H28F4N4O2/c1-22-16-25(18-26(17-22)34(35,36)37)20-29(43)19-24-5-8-28(9-6-24)41(3)31-10-11-38-33(40-31)39-27-7-4-23(2)30(21-27)32(44)42-12-14-45-15-13-42;1-20-13-23(15-24(14-20)33(35,36)37)17-27(43)16-22-7-10-26(11-8-22)41(3)31-28(34)19-38-32(40-31)39-25-9-6-21(2)29(18-25)42-12-4-5-30(42)44;1-5-29(38)27-19-24(10-6-20(27)2)34-31-33-15-14-30(35-31)36(4)25-11-7-22(8-12-25)17-26(37)18-23-9-13-28(32)21(3)16-23;1-4-28(42)25-16-22(9-5-18(25)2)38-30-37-17-27(33)29(39-30)40(3)23-10-6-19(7-11-23)13-24(41)15-20-14-21(31(34,35)36)8-12-26(20)32;1-4-28(41)26-18-23(9-5-19(26)2)37-30-36-14-13-29(38-30)39(3)24-10-6-20(7-11-24)15-25(40)17-21-16-22(31(33,34)35)8-12-27(21)32/h4-11,16-18,21H,12-15,19-20H2,1-3H3,(H,38,39,40);6-11,13-15,18-19H,4-5,12,16-17H2,1-3H3,(H,38,39,40);6-16,19H,5,17-18H2,1-4H3,(H,33,34,35);5-12,14,16-17H,4,13,15H2,1-3H3,(H,37,38,39);5-14,16,18H,4,15,17H2,1-3H3,(H,36,37,38)
InChIKeyQXTTULGRDHDWTC-UHFFFAOYSA-N
XLogP35.84
TPSA391.66 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.53
LogP ≤ 535.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

4-chloro-N-[4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]pyridin-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 24743044
4-chloro-2-[2-chloro-5-[[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]carbamoyl]-3-(trifluoromethyl)phenyl]-N-[4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87297850
N'-[6-(2-chloro-3-pyridinyl)pyrimidin-4-yl]-N-[4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]amino]phenyl]-N'-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzohydrazide
CID 87583222
N-[4-[2-[N-[6-(2-chloro-3-pyridinyl)pyrimidin-4-yl]-4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]amino]anilino]ethyl]morpholin-3-yl]-2-(trifluoromethyl)benzamide
CID 87583223
N-[3-[2-[2-[2-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]ethyl-methylamino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 130425771
2-(1,1-difluoroethyl)-N-[3-[2-ethoxy-6-[2-[[methyl-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]morpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425772
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 145004826
5-amino-1,3-dihydroindol-2-one;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-5-morpholin-4-ylbenzamide;N-methyl-5-morpholin-4-yl-2-[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 157080428
bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
CID 157153256
4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 157539541
N-[3-(2-amino-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-(6-amino-4-morpholin-4-yl-2-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157748921
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-(4-pyrimidin-5-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);4-pyrimidin-5-ylaniline
CID 157978722

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one (CID 160548724) is 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one is CCC(=O)c1cc(Nc2ncc(F)c(N(C)c3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4F)cc3)n2)ccc1C.CCC(=O)c1cc(Nc2nccc(N(C)c3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4F)cc3)n2)ccc1C.CCC(=O)c1cc(Nc2nccc(N(C)c3ccc(CC(=O)Cc4ccc(Cl)c(C)c4)cc3)n2)ccc1C.Cc1cc(CC(=O)Cc2ccc(N(C)c3ccnc(Nc4ccc(C)c(C(=O)N5CCOCC5)c4)n3)cc2)cc(C(F)(F)F)c1.Cc1cc(CC(=O)Cc2ccc(N(C)c3nc(Nc4ccc(C)c(N5CCCC5=O)c4)ncc3F)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is QXTTULGRDHDWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3N5O3.C33H31F4N5O2.C31H31ClN4O2.C31H27F5N4O2.C31H28F4N4O2/c1-22-16-25(18-26(17-22)34(35,36)37)20-29(43)19-24-5-8-28(9-6-24)41(3)31-10-11-38-33(40-31)39-27-7-4-23(2)30(21-27)32(44)42-12-14-45-15-13-42;1-20-13-23(15-24(14-20)33(35,36)37)17-27(43)16-22-7-10-26(11-8-22)41(3)31-28(34)19-38-32(40-31)39-25-9-6-21(2)29(18-25)42-12-4-5-30(42)44;1-5-29(38)27-19-24(10-6-20(27)2)34-31-33-15-14-30(35-31)36(4)25-11-7-22(8-12-25)17-26(37)18-23-9-13-28(32)21(3)16-23;1-4-28(42)25-16-22(9-5-18(25)2)38-30-37-17-27(33)29(39-30)40(3)23-10-6-19(7-11-23)13-24(41)15-20-14-21(31(34,35)36)8-12-26(20)32;1-4-28(41)26-18-23(9-5-19(26)2)37-30-36-14-13-29(38-30)39(3)24-10-6-20(7-11-24)15-25(40)17-21-16-22(31(33,34)35)8-12-27(21)32/h4-11,16-18,21H,12-15,19-20H2,1-3H3,(H,38,39,40);6-11,13-15,18-19H,4-5,12,16-17H2,1-3H3,(H,38,39,40);6-16,19H,5,17-18H2,1-4H3,(H,33,34,35);5-12,14,16-17H,4,13,15H2,1-3H3,(H,37,38,39);5-14,16,18H,4,15,17H2,1-3H3,(H,36,37,38).
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one?
1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 2897.53 g/mol, XLogP of 35.84, 48 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[5-[[5-fluoro-4-[N-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxopropyl]anilino]pyrimidin-2-yl]amino]-2-methylphenyl]pyrrolidin-2-one;1-[4-[[5-fluoro-2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]propan-2-one;1-[4-[methyl-[2-[4-methyl-3-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 160548724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).