2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

C160H178F18N34O8 — CID 160554026

IUPAC2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)N1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.CN(C)C1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.CN1CCN(c2cccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)c2)CC1.CNC(=O)Cc1ccccc1CCc1nc(Nc2cccc(N3CCN(C)CC3)c2)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CNCCO3)cc2)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(N3CCC(N)CC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C28H33F3N6O.C28H30F3N5O2.C27H31F3N6O.2C26H29F3N6O.C25H26F3N5O2/c1-36(2)22-13-15-37(16-14-22)23-10-8-21(9-11-23)34-27-33-18-24(28(29,30)31)25(35-27)12-7-19-5-3-4-6-20(19)17-26(32)38;1-18(37)36-14-12-21(13-15-36)20-6-9-23(10-7-20)34-27-33-17-24(28(29,30)31)25(35-27)11-8-19-4-2-3-5-22(19)16-26(32)38;1-31-25(37)16-20-7-4-3-6-19(20)10-11-24-23(27(28,29)30)18-32-26(34-24)33-21-8-5-9-22(17-21)36-14-12-35(2)13-15-36;1-34-11-13-35(14-12-34)21-8-4-7-20(16-21)32-25-31-17-22(26(27,28)29)23(33-25)10-9-18-5-2-3-6-19(18)15-24(30)36;27-26(28,29)22-16-32-25(33-20-6-8-21(9-7-20)35-13-11-19(30)12-14-35)34-23(22)10-5-17-3-1-2-4-18(17)15-24(31)36;26-25(27,28)20-14-31-24(32-19-8-5-17(6-9-19)22-15-30-11-12-35-22)33-21(20)10-7-16-3-1-2-4-18(16)13-23(29)34/h3-6,8-11,18,22H,7,12-17H2,1-2H3,(H2,32,38)(H,33,34,35);2-7,9-10,17,21H,8,11-16H2,1H3,(H2,32,38)(H,33,34,35);3-9,17-18H,10-16H2,1-2H3,(H,31,37)(H,32,33,34);2-8,16-17H,9-15H2,1H3,(H2,30,36)(H,31,32,33);1-4,6-9,16,19H,5,10-15,30H2,(H2,31,36)(H,32,33,34);1-6,8-9,14,22,30H,7,10-13,15H2,(H2,29,34)(H,31,32,33)
InChIKeyQYLGEZSYBAIOOS-UHFFFAOYSA-N
MW3047.38 g/mol
LogP24.92
Rot. Bonds49

About 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide

2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (PubChem CID 160554026) has the molecular formula C160H178F18N34O8 and a molecular weight of 3047.38 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
PubChem CID160554026
Molecular FormulaC160H178F18N34O8
Molecular Weight3047.38 g/mol
Exact Mass3045.43
IUPAC Name2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)N1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.CN(C)C1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.CN1CCN(c2cccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)c2)CC1.CNC(=O)Cc1ccccc1CCc1nc(Nc2cccc(N3CCN(C)CC3)c2)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CNCCO3)cc2)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(N3CCC(N)CC3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C28H33F3N6O.C28H30F3N5O2.C27H31F3N6O.2C26H29F3N6O.C25H26F3N5O2/c1-36(2)22-13-15-37(16-14-22)23-10-8-21(9-11-23)34-27-33-18-24(28(29,30)31)25(35-27)12-7-19-5-3-4-6-20(19)17-26(32)38;1-18(37)36-14-12-21(13-15-36)20-6-9-23(10-7-20)34-27-33-17-24(28(29,30)31)25(35-27)11-8-19-4-2-3-5-22(19)16-26(32)38;1-31-25(37)16-20-7-4-3-6-19(20)10-11-24-23(27(28,29)30)18-32-26(34-24)33-21-8-5-9-22(17-21)36-14-12-35(2)13-15-36;1-34-11-13-35(14-12-34)21-8-4-7-20(16-21)32-25-31-17-22(26(27,28)29)23(33-25)10-9-18-5-2-3-6-19(18)15-24(30)36;27-26(28,29)22-16-32-25(33-20-6-8-21(9-7-20)35-13-11-19(30)12-14-35)34-23(22)10-5-17-3-1-2-4-18(17)15-24(31)36;26-25(27,28)20-14-31-24(32-19-8-5-17(6-9-19)22-15-30-11-12-35-22)33-21(20)10-7-16-3-1-2-4-18(16)13-23(29)34/h3-6,8-11,18,22H,7,12-17H2,1-2H3,(H2,32,38)(H,33,34,35);2-7,9-10,17,21H,8,11-16H2,1H3,(H2,32,38)(H,33,34,35);3-9,17-18H,10-16H2,1-2H3,(H,31,37)(H,32,33,34);2-8,16-17H,9-15H2,1H3,(H2,30,36)(H,31,32,33);1-4,6-9,16,19H,5,10-15,30H2,(H2,31,36)(H,32,33,34);1-6,8-9,14,22,30H,7,10-13,15H2,(H2,29,34)(H,31,32,33)
InChIKeyQYLGEZSYBAIOOS-UHFFFAOYSA-N
XLogP24.92
TPSA561.68 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds49
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003047.38
LogP ≤ 524.92
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide with MolForge

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Related Compounds

2-(2-(2-((4-(Morpholin-2-yl)phenyl)-amino)-5-(trifluoromethyl)pyrimidin-4-yl-ethyl)phenyl)acetamide
CID 60164700
2-[4-[[4-[2-[2-(2-Amino-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]morpholine-4-carboxylic acid
CID 68282496
2-[4-[[4-[2-[2-(2-Methoxy-2-oxoethyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]morpholine-4-carboxylic acid
CID 68282713
6-(4-Methyl-2-piperidin-4-ylphenyl)-2-(4-morpholin-2-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934377
tert-Butyl 2-(4-((4-(2-(2-methoxy-2-oxoethyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)morpholine-4-carboxylate
CID 71229333
tert-Butyl 2-(4-((4-(2-(2-amino-2-oxoethyl)phenethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)morpholine-4-carboxylate
CID 86675724
(E)-N-[4-[2-[4-[2-[2-[[(Z)-5-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]anilino]-5-oxo-3-(trifluoromethyl)pent-3-en-2-yl]amino]pyrimidin-5-yl]-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 88970843
N-[3-[[3-[6-[[4-[[2-[2-[[3-[6-[[5-[(dimethylamino)methyl]pyridin-2-yl]amino]pyrimidin-4-yl]pyridin-2-yl]amino]-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholin-4-yl]methyl]pyridin-2-yl]amino]pyrimidin-4-yl]pyridin-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 89337150
Tert-butyl 2-[4-[[4-[2-[2-[2-(methylamino)-2-oxoethyl]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]morpholine-4-carboxylate
CID 118026789
2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide
CID 130425807
2-[2-[2-[2-(4-Cyclohexylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-methylpiperidin-2-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(1-methylpiperidin-3-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperazin-1-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-piperidin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 157624219
5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 158775336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide (CID 160554026) is 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is CC(=O)N1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.CN(C)C1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)cc2)CC1.CN1CCN(c2cccc(Nc3ncc(C(F)(F)F)c(CCc4ccccc4CC(N)=O)n3)c2)CC1.CNC(=O)Cc1ccccc1CCc1nc(Nc2cccc(N3CCN(C)CC3)c2)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CNCCO3)cc2)ncc1C(F)(F)F.NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(N3CCC(N)CC3)cc2)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
The InChIKey is QYLGEZSYBAIOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N6O.C28H30F3N5O2.C27H31F3N6O.2C26H29F3N6O.C25H26F3N5O2/c1-36(2)22-13-15-37(16-14-22)23-10-8-21(9-11-23)34-27-33-18-24(28(29,30)31)25(35-27)12-7-19-5-3-4-6-20(19)17-26(32)38;1-18(37)36-14-12-21(13-15-36)20-6-9-23(10-7-20)34-27-33-17-24(28(29,30)31)25(35-27)11-8-19-4-2-3-5-22(19)16-26(32)38;1-31-25(37)16-20-7-4-3-6-19(20)10-11-24-23(27(28,29)30)18-32-26(34-24)33-21-8-5-9-22(17-21)36-14-12-35(2)13-15-36;1-34-11-13-35(14-12-34)21-8-4-7-20(16-21)32-25-31-17-22(26(27,28)29)23(33-25)10-9-18-5-2-3-6-19(18)15-24(30)36;27-26(28,29)22-16-32-25(33-20-6-8-21(9-7-20)35-13-11-19(30)12-14-35)34-23(22)10-5-17-3-1-2-4-18(17)15-24(31)36;26-25(27,28)20-14-31-24(32-19-8-5-17(6-9-19)22-15-30-11-12-35-22)33-21(20)10-7-16-3-1-2-4-18(16)13-23(29)34/h3-6,8-11,18,22H,7,12-17H2,1-2H3,(H2,32,38)(H,33,34,35);2-7,9-10,17,21H,8,11-16H2,1H3,(H2,32,38)(H,33,34,35);3-9,17-18H,10-16H2,1-2H3,(H,31,37)(H,32,33,34);2-8,16-17H,9-15H2,1H3,(H2,30,36)(H,31,32,33);1-4,6-9,16,19H,5,10-15,30H2,(H2,31,36)(H,32,33,34);1-6,8-9,14,22,30H,7,10-13,15H2,(H2,29,34)(H,31,32,33).
What are the key properties of 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide?
2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide has a molecular weight of 3047.38 g/mol, XLogP of 24.92, 49 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 160554026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).