6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide

C165H146Cl2F21N45O11S7 — CID 160901899

IUPAC6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide
SMILESCC(CC(=O)c1cc(-c2cncnc2)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CC(CC(=O)c1cc(C(N)=O)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CC(NC(=O)c1ncnc(N)c1Cl)c1ccc(Cc2ccc(C(C)(C)C)cc2)nn1.CC(NC(=O)c1ncnc(N)c1Cl)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.Cc1nccn1-c1cc(C(=O)CCc2cnc(Nc3ccc(C(F)(F)F)cc3)s2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(-c2cncnc2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(N2CCC(O)CC2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C22H25ClN6O.C22H17F3N6OS.C22H22F3N5O2S.C21H17F3N6OS.C21H15F3N6OS.C21H20F3N5O2S.C19H16F3N5O2S.C17H14ClF3N6OS/c1-13(27-21(30)19-18(23)20(24)26-12-25-19)17-10-9-16(28-29-17)11-14-5-7-15(8-6-14)22(2,3)4;1-13(6-19(32)18-7-17(29-12-30-18)14-8-26-11-27-9-14)20-10-28-21(33-20)31-16-4-2-15(3-5-16)22(23,24)25;23-22(24,25)14-1-3-15(4-2-14)29-21-26-12-17(33-21)5-6-19(32)18-11-20(28-13-27-18)30-9-7-16(31)8-10-30;1-13-25-8-9-30(13)19-10-17(27-12-28-19)18(31)7-6-16-11-26-20(32-16)29-15-4-2-14(3-5-15)21(22,23)24;22-21(23,24)14-1-3-15(4-2-14)30-20-27-10-16(32-20)5-6-19(31)18-7-17(28-12-29-18)13-8-25-11-26-9-13;22-21(23,24)14-1-3-15(4-2-14)28-20-25-12-16(32-20)5-6-18(30)17-11-19(27-13-26-17)29-7-9-31-10-8-29;1-10(6-15(28)13-7-14(17(23)29)26-9-25-13)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22;1-8(26-15(28)13-12(18)14(22)25-7-24-13)11-6-23-16(29-11)27-10-4-2-9(3-5-10)17(19,20)21/h5-10,12-13H,11H2,1-4H3,(H,27,30)(H2,24,25,26);2-5,7-13H,6H2,1H3,(H,28,31);1-4,11-13,16,31H,5-10H2,(H,26,29);2-5,8-12H,6-7H2,1H3,(H,26,29);1-4,7-12H,5-6H2,(H,27,30);1-4,11-13H,5-10H2,(H,25,28);2-5,7-10H,6H2,1H3,(H2,23,29)(H,24,27);2-8H,1H3,(H,23,27)(H,26,28)(H2,22,24,25)
InChIKeySPPRHFXODWBJBT-UHFFFAOYSA-N
MW3629.62 g/mol
LogP36.80
Rot. Bonds52

About 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide

6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide (PubChem CID 160901899) has the molecular formula C165H146Cl2F21N45O11S7 and a molecular weight of 3629.62 g/mol. Its IUPAC name is 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide
PubChem CID160901899
Molecular FormulaC165H146Cl2F21N45O11S7
Molecular Weight3629.62 g/mol
Exact Mass3625.93
IUPAC Name6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide
SMILESCC(CC(=O)c1cc(-c2cncnc2)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CC(CC(=O)c1cc(C(N)=O)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CC(NC(=O)c1ncnc(N)c1Cl)c1ccc(Cc2ccc(C(C)(C)C)cc2)nn1.CC(NC(=O)c1ncnc(N)c1Cl)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.Cc1nccn1-c1cc(C(=O)CCc2cnc(Nc3ccc(C(F)(F)F)cc3)s2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(-c2cncnc2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(N2CCC(O)CC2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C22H25ClN6O.C22H17F3N6OS.C22H22F3N5O2S.C21H17F3N6OS.C21H15F3N6OS.C21H20F3N5O2S.C19H16F3N5O2S.C17H14ClF3N6OS/c1-13(27-21(30)19-18(23)20(24)26-12-25-19)17-10-9-16(28-29-17)11-14-5-7-15(8-6-14)22(2,3)4;1-13(6-19(32)18-7-17(29-12-30-18)14-8-26-11-27-9-14)20-10-28-21(33-20)31-16-4-2-15(3-5-16)22(23,24)25;23-22(24,25)14-1-3-15(4-2-14)29-21-26-12-17(33-21)5-6-19(32)18-11-20(28-13-27-18)30-9-7-16(31)8-10-30;1-13-25-8-9-30(13)19-10-17(27-12-28-19)18(31)7-6-16-11-26-20(32-16)29-15-4-2-14(3-5-15)21(22,23)24;22-21(23,24)14-1-3-15(4-2-14)30-20-27-10-16(32-20)5-6-19(31)18-7-17(28-12-29-18)13-8-25-11-26-9-13;22-21(23,24)14-1-3-15(4-2-14)28-20-25-12-16(32-20)5-6-18(30)17-11-19(27-13-26-17)29-7-9-31-10-8-29;1-10(6-15(28)13-7-14(17(23)29)26-9-25-13)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22;1-8(26-15(28)13-12(18)14(22)25-7-24-13)11-6-23-16(29-11)27-10-4-2-9(3-5-10)17(19,20)21/h5-10,12-13H,11H2,1-4H3,(H,27,30)(H2,24,25,26);2-5,7-13H,6H2,1H3,(H,28,31);1-4,11-13,16,31H,5-10H2,(H,26,29);2-5,8-12H,6-7H2,1H3,(H,26,29);1-4,7-12H,5-6H2,(H,27,30);1-4,11-13H,5-10H2,(H,25,28);2-5,7-10H,6H2,1H3,(H2,23,29)(H,24,27);2-8H,1H3,(H,23,27)(H,26,28)(H2,22,24,25)
InChIKeySPPRHFXODWBJBT-UHFFFAOYSA-N
XLogP36.80
TPSA767.53 Ų
H-Bond Donors13
H-Bond Acceptors60
Rotatable Bonds52
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003629.62
LogP ≤ 536.80
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1060

Analyze 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide (CID 160901899) is 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide is CC(CC(=O)c1cc(-c2cncnc2)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CC(CC(=O)c1cc(C(N)=O)ncn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CC(NC(=O)c1ncnc(N)c1Cl)c1ccc(Cc2ccc(C(C)(C)C)cc2)nn1.CC(NC(=O)c1ncnc(N)c1Cl)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.Cc1nccn1-c1cc(C(=O)CCc2cnc(Nc3ccc(C(F)(F)F)cc3)s2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(-c2cncnc2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(N2CCC(O)CC2)ncn1.O=C(CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
The InChIKey is SPPRHFXODWBJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O.C22H17F3N6OS.C22H22F3N5O2S.C21H17F3N6OS.C21H15F3N6OS.C21H20F3N5O2S.C19H16F3N5O2S.C17H14ClF3N6OS/c1-13(27-21(30)19-18(23)20(24)26-12-25-19)17-10-9-16(28-29-17)11-14-5-7-15(8-6-14)22(2,3)4;1-13(6-19(32)18-7-17(29-12-30-18)14-8-26-11-27-9-14)20-10-28-21(33-20)31-16-4-2-15(3-5-16)22(23,24)25;23-22(24,25)14-1-3-15(4-2-14)29-21-26-12-17(33-21)5-6-19(32)18-11-20(28-13-27-18)30-9-7-16(31)8-10-30;1-13-25-8-9-30(13)19-10-17(27-12-28-19)18(31)7-6-16-11-26-20(32-16)29-15-4-2-14(3-5-15)21(22,23)24;22-21(23,24)14-1-3-15(4-2-14)30-20-27-10-16(32-20)5-6-19(31)18-7-17(28-12-29-18)13-8-25-11-26-9-13;22-21(23,24)14-1-3-15(4-2-14)28-20-25-12-16(32-20)5-6-18(30)17-11-19(27-13-26-17)29-7-9-31-10-8-29;1-10(6-15(28)13-7-14(17(23)29)26-9-25-13)16-8-24-18(30-16)27-12-4-2-11(3-5-12)19(20,21)22;1-8(26-15(28)13-12(18)14(22)25-7-24-13)11-6-23-16(29-11)27-10-4-2-9(3-5-10)17(19,20)21/h5-10,12-13H,11H2,1-4H3,(H,27,30)(H2,24,25,26);2-5,7-13H,6H2,1H3,(H,28,31);1-4,11-13,16,31H,5-10H2,(H,26,29);2-5,8-12H,6-7H2,1H3,(H,26,29);1-4,7-12H,5-6H2,(H,27,30);1-4,11-13H,5-10H2,(H,25,28);2-5,7-10H,6H2,1H3,(H2,23,29)(H,24,27);2-8H,1H3,(H,23,27)(H,26,28)(H2,22,24,25).
What are the key properties of 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide?
6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide has a molecular weight of 3629.62 g/mol, XLogP of 36.80, 52 rotatable bonds, 13 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-[6-[(4-tert-butylphenyl)methyl]pyridazin-3-yl]ethyl]-5-chloropyrimidine-4-carboxamide;6-amino-5-chloro-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]pyrimidine-4-carboxamide;1-[6-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-morpholin-4-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;1-(6-pyrimidin-5-ylpyrimidin-4-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]propan-1-one;6-[3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butanoyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 160901899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).