N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

C143H111Cl6F20N43O14S6 — CID 161444709

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(NCCCN2CCCC2=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(C#N)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(F)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2cccnc2F)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.COc1ncccc1Nc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.Cc1ccc(Nc2cc(C(=O)CC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)cn1
InChIInChI=1S/C25H25ClF3N7O3S.C24H16ClF3N8O2S.C24H19ClF3N7O3S.C24H19ClF3N7O2S.2C23H16ClF4N7O2S/c1-14(8-18(37)17-10-20(34-13-33-17)30-5-3-7-36-6-2-4-22(36)38)24-32-12-19(40-24)23(39)35-21-9-15(25(27,28)29)16(26)11-31-21;1-12(4-18(37)17-6-21(34-11-33-17)35-14-3-2-13(7-29)30-8-14)23-32-10-19(39-23)22(38)36-20-5-15(24(26,27)28)16(25)9-31-20;1-12(6-17(36)16-8-20(33-11-32-16)34-15-4-3-5-29-22(15)38-2)23-31-10-18(39-23)21(37)35-19-7-13(24(26,27)28)14(25)9-30-19;1-12(5-18(36)17-7-21(33-11-32-17)34-14-4-3-13(2)29-8-14)23-31-10-19(38-23)22(37)35-20-6-15(24(26,27)28)16(25)9-30-20;1-11(4-16(36)15-6-20(33-10-32-15)34-12-2-3-18(25)29-7-12)22-31-9-17(38-22)21(37)35-19-5-13(23(26,27)28)14(24)8-30-19;1-11(5-16(36)15-7-19(33-10-32-15)34-14-3-2-4-29-20(14)25)22-31-9-17(38-22)21(37)35-18-6-12(23(26,27)28)13(24)8-30-18/h9-14H,2-8H2,1H3,(H,30,33,34)(H,31,35,39);2-3,5-6,8-12H,4H2,1H3,(H,31,36,38)(H,33,34,35);3-5,7-12H,6H2,1-2H3,(H,30,35,37)(H,32,33,34);3-4,6-12H,5H2,1-2H3,(H,30,35,37)(H,32,33,34);2-3,5-11H,4H2,1H3,(H,30,35,37)(H,32,33,34);2-4,6-11H,5H2,1H3,(H,30,35,37)(H,32,33,34)
InChIKeyVZSXXXLTEXFSKA-UHFFFAOYSA-N
MW3440.83 g/mol
LogP34.36
Rot. Bonds52

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 161444709) has the molecular formula C143H111Cl6F20N43O14S6 and a molecular weight of 3440.83 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID161444709
Molecular FormulaC143H111Cl6F20N43O14S6
Molecular Weight3440.83 g/mol
Exact Mass3435.54
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(NCCCN2CCCC2=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(C#N)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(F)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2cccnc2F)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.COc1ncccc1Nc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.Cc1ccc(Nc2cc(C(=O)CC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)cn1
InChIInChI=1S/C25H25ClF3N7O3S.C24H16ClF3N8O2S.C24H19ClF3N7O3S.C24H19ClF3N7O2S.2C23H16ClF4N7O2S/c1-14(8-18(37)17-10-20(34-13-33-17)30-5-3-7-36-6-2-4-22(36)38)24-32-12-19(40-24)23(39)35-21-9-15(25(27,28)29)16(26)11-31-21;1-12(4-18(37)17-6-21(34-11-33-17)35-14-3-2-13(7-29)30-8-14)23-32-10-19(39-23)22(38)36-20-5-15(24(26,27)28)16(25)9-31-20;1-12(6-17(36)16-8-20(33-11-32-16)34-15-4-3-5-29-22(15)38-2)23-31-10-18(39-23)21(37)35-19-7-13(24(26,27)28)14(25)9-30-19;1-12(5-18(36)17-7-21(33-11-32-17)34-14-4-3-13(2)29-8-14)23-31-10-19(38-23)22(37)35-20-6-15(24(26,27)28)16(25)9-30-20;1-11(4-16(36)15-6-20(33-10-32-15)34-12-2-3-18(25)29-7-12)22-31-9-17(38-22)21(37)35-19-5-13(23(26,27)28)14(24)8-30-19;1-11(5-16(36)15-7-19(33-10-32-15)34-14-3-2-4-29-20(14)25)22-31-9-17(38-22)21(37)35-18-6-12(23(26,27)28)13(24)8-30-18/h9-14H,2-8H2,1H3,(H,30,33,34)(H,31,35,39);2-3,5-6,8-12H,4H2,1H3,(H,31,36,38)(H,33,34,35);3-5,7-12H,6H2,1-2H3,(H,30,35,37)(H,32,33,34);3-4,6-12H,5H2,1-2H3,(H,30,35,37)(H,32,33,34);2-3,5-11H,4H2,1H3,(H,30,35,37)(H,32,33,34);2-4,6-11H,5H2,1H3,(H,30,35,37)(H,32,33,34)
InChIKeyVZSXXXLTEXFSKA-UHFFFAOYSA-N
XLogP34.36
TPSA776.34 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds52
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003440.83
LogP ≤ 534.36
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (CID 161444709) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(NCCCN2CCCC2=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(C#N)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2ccc(F)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1cc(Nc2cccnc2F)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.COc1ncccc1Nc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.Cc1ccc(Nc2cc(C(=O)CC(C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)cn1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is VZSXXXLTEXFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N7O3S.C24H16ClF3N8O2S.C24H19ClF3N7O3S.C24H19ClF3N7O2S.2C23H16ClF4N7O2S/c1-14(8-18(37)17-10-20(34-13-33-17)30-5-3-7-36-6-2-4-22(36)38)24-32-12-19(40-24)23(39)35-21-9-15(25(27,28)29)16(26)11-31-21;1-12(4-18(37)17-6-21(34-11-33-17)35-14-3-2-13(7-29)30-8-14)23-32-10-19(39-23)22(38)36-20-5-15(24(26,27)28)16(25)9-31-20;1-12(6-17(36)16-8-20(33-11-32-16)34-15-4-3-5-29-22(15)38-2)23-31-10-18(39-23)21(37)35-19-7-13(24(26,27)28)14(25)9-30-19;1-12(5-18(36)17-7-21(33-11-32-17)34-14-4-3-13(2)29-8-14)23-31-10-19(38-23)22(37)35-20-6-15(24(26,27)28)16(25)9-30-20;1-11(4-16(36)15-6-20(33-10-32-15)34-12-2-3-18(25)29-7-12)22-31-9-17(38-22)21(37)35-19-5-13(23(26,27)28)14(24)8-30-19;1-11(5-16(36)15-7-19(33-10-32-15)34-14-3-2-4-29-20(14)25)22-31-9-17(38-22)21(37)35-18-6-12(23(26,27)28)13(24)8-30-18/h9-14H,2-8H2,1H3,(H,30,33,34)(H,31,35,39);2-3,5-6,8-12H,4H2,1H3,(H,31,36,38)(H,33,34,35);3-5,7-12H,6H2,1-2H3,(H,30,35,37)(H,32,33,34);3-4,6-12H,5H2,1-2H3,(H,30,35,37)(H,32,33,34);2-3,5-11H,4H2,1H3,(H,30,35,37)(H,32,33,34);2-4,6-11H,5H2,1H3,(H,30,35,37)(H,32,33,34).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 3440.83 g/mol, XLogP of 34.36, 52 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-cyano-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-fluoro-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[(6-methyl-3-pyridinyl)amino]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-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161444709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).