2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

C144H153Cl7F18N40O12S6 — CID 161260886

IUPAC2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(CCCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(CCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(CCCN2CCN(C)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCN2CCCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCC2CCN(C)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCN(CC)CCCNc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1
InChIInChI=1S/C26H29ClF3N7O2S.C25H26Cl2F3N7O2S.C25H27ClF3N7O2S.C25H29ClF3N7O2S.C22H22ClF3N6O2S.C21H20ClF3N6O2S/c1-16(10-21(38)20-11-17(33-15-34-20)4-3-5-37-8-6-36(2)7-9-37)25-32-14-22(40-25)24(39)35-23-12-18(26(28,29)30)19(27)13-31-23;1-13(7-17(38)21-20(27)22(35-12-34-21)32-9-14-3-5-37(2)6-4-14)24-33-11-18(40-24)23(39)36-19-8-15(25(28,29)30)16(26)10-31-19;1-15(9-19(37)18-11-21(34-14-33-18)30-5-4-8-36-6-2-3-7-36)24-32-13-20(39-24)23(38)35-22-10-16(25(27,28)29)17(26)12-31-22;1-4-36(5-2)8-6-7-30-21-11-18(33-14-34-21)19(37)9-15(3)24-32-13-20(39-24)23(38)35-22-10-16(25(27,28)29)17(26)12-31-22;1-12(6-17(33)16-7-13(30-11-31-16)4-2-3-5-27)21-29-10-18(35-21)20(34)32-19-8-14(22(24,25)26)15(23)9-28-19;1-11(5-16(32)15-6-12(3-2-4-26)29-10-30-15)20-28-9-17(34-20)19(33)31-18-7-13(21(23,24)25)14(22)8-27-18/h11-16H,3-10H2,1-2H3,(H,31,35,39);8,10-14H,3-7,9H2,1-2H3,(H,31,36,39)(H,32,34,35);10-15H,2-9H2,1H3,(H,30,33,34)(H,31,35,38);10-15H,4-9H2,1-3H3,(H,30,33,34)(H,31,35,38);7-12H,2-6,27H2,1H3,(H,28,32,34);6-11H,2-5,26H2,1H3,(H,27,31,33)
InChIKeyVCNLLGRAYIKOLE-UHFFFAOYSA-N
MW3418.61 g/mol
LogP31.58
Rot. Bonds62

About 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 161260886) has the molecular formula C144H153Cl7F18N40O12S6 and a molecular weight of 3418.61 g/mol. Its IUPAC name is 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID161260886
Molecular FormulaC144H153Cl7F18N40O12S6
Molecular Weight3418.61 g/mol
Exact Mass3412.84
IUPAC Name2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(CCCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(CCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(CCCN2CCN(C)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCN2CCCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCC2CCN(C)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCN(CC)CCCNc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1
InChIInChI=1S/C26H29ClF3N7O2S.C25H26Cl2F3N7O2S.C25H27ClF3N7O2S.C25H29ClF3N7O2S.C22H22ClF3N6O2S.C21H20ClF3N6O2S/c1-16(10-21(38)20-11-17(33-15-34-20)4-3-5-37-8-6-36(2)7-9-37)25-32-14-22(40-25)24(39)35-23-12-18(26(28,29)30)19(27)13-31-23;1-13(7-17(38)21-20(27)22(35-12-34-21)32-9-14-3-5-37(2)6-4-14)24-33-11-18(40-24)23(39)36-19-8-15(25(28,29)30)16(26)10-31-19;1-15(9-19(37)18-11-21(34-14-33-18)30-5-4-8-36-6-2-3-7-36)24-32-13-20(39-24)23(38)35-22-10-16(25(27,28)29)17(26)12-31-22;1-4-36(5-2)8-6-7-30-21-11-18(33-14-34-21)19(37)9-15(3)24-32-13-20(39-24)23(38)35-22-10-16(25(27,28)29)17(26)12-31-22;1-12(6-17(33)16-7-13(30-11-31-16)4-2-3-5-27)21-29-10-18(35-21)20(34)32-19-8-14(22(24,25)26)15(23)9-28-19;1-11(5-16(32)15-6-12(3-2-4-26)29-10-30-15)20-28-9-17(34-20)19(33)31-18-7-13(21(23,24)25)14(22)8-27-18/h11-16H,3-10H2,1-2H3,(H,31,35,39);8,10-14H,3-7,9H2,1-2H3,(H,31,36,39)(H,32,34,35);10-15H,2-9H2,1H3,(H,30,33,34)(H,31,35,38);10-15H,4-9H2,1-3H3,(H,30,33,34)(H,31,35,38);7-12H,2-6,27H2,1H3,(H,28,32,34);6-11H,2-5,26H2,1H3,(H,27,31,33)
InChIKeyVCNLLGRAYIKOLE-UHFFFAOYSA-N
XLogP31.58
TPSA690.71 Ų
H-Bond Donors11
H-Bond Acceptors52
Rotatable Bonds62
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003418.61
LogP ≤ 531.58
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 172419716
2-[1-[[6-(6-aminopyridin-3-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
CID 25160533
4-N,6-N-bis[1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide
CID 57569430
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-piperidin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 89433976
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-(piperidin-4-ylmethyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 117961254
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-(2-piperidin-4-ylethyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 117961255
2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146733689
N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]-6-[2-(pyrazin-2-ylamino)ethylamino]pyrimidine-4-carboxamide
CID 146809267
2-[(2R)-4-[5-chloro-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146815234
2-[(2S)-4-[5-chloro-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146815235
2-[4-[5-chloro-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146815236
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 147013594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (CID 161260886) is 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(CCCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(CCCN)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(CCCN2CCN(C)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(NCCCN2CCCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(NCC2CCN(C)CC2)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCN(CC)CCCNc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.
What is the InChIKey of 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is VCNLLGRAYIKOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClF3N7O2S.C25H26Cl2F3N7O2S.C25H27ClF3N7O2S.C25H29ClF3N7O2S.C22H22ClF3N6O2S.C21H20ClF3N6O2S/c1-16(10-21(38)20-11-17(33-15-34-20)4-3-5-37-8-6-36(2)7-9-37)25-32-14-22(40-25)24(39)35-23-12-18(26(28,29)30)19(27)13-31-23;1-13(7-17(38)21-20(27)22(35-12-34-21)32-9-14-3-5-37(2)6-4-14)24-33-11-18(40-24)23(39)36-19-8-15(25(28,29)30)16(26)10-31-19;1-15(9-19(37)18-11-21(34-14-33-18)30-5-4-8-36-6-2-3-7-36)24-32-13-20(39-24)23(38)35-22-10-16(25(27,28)29)17(26)12-31-22;1-4-36(5-2)8-6-7-30-21-11-18(33-14-34-21)19(37)9-15(3)24-32-13-20(39-24)23(38)35-22-10-16(25(27,28)29)17(26)12-31-22;1-12(6-17(33)16-7-13(30-11-31-16)4-2-3-5-27)21-29-10-18(35-21)20(34)32-19-8-14(22(24,25)26)15(23)9-28-19;1-11(5-16(32)15-6-12(3-2-4-26)29-10-30-15)20-28-9-17(34-20)19(33)31-18-7-13(21(23,24)25)14(22)8-27-18/h11-16H,3-10H2,1-2H3,(H,31,35,39);8,10-14H,3-7,9H2,1-2H3,(H,31,36,39)(H,32,34,35);10-15H,2-9H2,1H3,(H,30,33,34)(H,31,35,38);10-15H,4-9H2,1-3H3,(H,30,33,34)(H,31,35,38);7-12H,2-6,27H2,1H3,(H,28,32,34);6-11H,2-5,26H2,1H3,(H,27,31,33).
What are the key properties of 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 3418.61 g/mol, XLogP of 31.58, 62 rotatable bonds, 11 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-aminobutyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[6-(3-aminopropyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[(1-methylpiperidin-4-yl)methylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(diethylamino)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyrrolidin-1-ylpropylamino)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161260886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).