6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide

C125H103Cl6F18N45O18S6 — CID 161202958

IUPAC6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)NCc2cccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCNC(=O)c1cc(C(=O)N[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CNC(=O)c1cc(C(=O)N[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.C[C@@H](NC(=O)c1cc(C(=O)NC2CCNCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](NC(=O)c1cc(C(=O)NC2CNC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](NC(=O)c1cc(C(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C24H18ClF3N8O3S.C23H22ClF3N8O3S.C21H18ClF3N8O3S.C20H17ClF3N7O3S.C19H15ClF3N7O3S.C18H13ClF3N7O3S/c1-12(23-32-10-18(40-23)22(39)36-19-5-14(24(26,27)28)15(25)9-30-19)35-21(38)17-6-16(33-11-34-17)20(37)31-8-13-3-2-4-29-7-13;1-11(33-19(36)15-7-16(32-10-31-15)20(37)34-12-2-4-28-5-3-12)22-30-9-17(39-22)21(38)35-18-6-13(23(25,26)27)14(24)8-29-18;1-9(31-17(34)13-3-14(30-8-29-13)18(35)32-10-4-26-5-10)20-28-7-15(37-20)19(36)33-16-2-11(21(23,24)25)12(22)6-27-16;1-3-25-16(32)12-5-13(29-8-28-12)17(33)30-9(2)19-27-7-14(35-19)18(34)31-15-4-10(20(22,23)24)11(21)6-26-15;1-8(29-16(32)12-4-11(15(31)24-2)27-7-28-12)18-26-6-13(34-18)17(33)30-14-3-9(19(21,22)23)10(20)5-25-14;1-7(28-15(31)11-3-10(14(23)30)26-6-27-11)17-25-5-12(33-17)16(32)29-13-2-8(18(20,21)22)9(19)4-24-13/h2-7,9-12H,8H2,1H3,(H,31,37)(H,35,38)(H,30,36,39);6-12,28H,2-5H2,1H3,(H,33,36)(H,34,37)(H,29,35,38);2-3,6-10,26H,4-5H2,1H3,(H,31,34)(H,32,35)(H,27,33,36);4-9H,3H2,1-2H3,(H,25,32)(H,30,33)(H,26,31,34);3-8H,1-2H3,(H,24,31)(H,29,32)(H,25,30,33);2-7H,1H3,(H2,23,30)(H,28,31)(H,24,29,32)/t;11-;2*9-;8-;7-/m.11111/s1
InChIKeyUVFNGUYBQZZNTF-QCWQTAACSA-N
MW3270.58 g/mol
LogP19.18
Rot. Bonds41

About 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide

6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide (PubChem CID 161202958) has the molecular formula C125H103Cl6F18N45O18S6 and a molecular weight of 3270.58 g/mol. Its IUPAC name is 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide
PubChem CID161202958
Molecular FormulaC125H103Cl6F18N45O18S6
Molecular Weight3270.58 g/mol
Exact Mass3265.47
IUPAC Name6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)NCc2cccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCNC(=O)c1cc(C(=O)N[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CNC(=O)c1cc(C(=O)N[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.C[C@@H](NC(=O)c1cc(C(=O)NC2CCNCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](NC(=O)c1cc(C(=O)NC2CNC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](NC(=O)c1cc(C(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C24H18ClF3N8O3S.C23H22ClF3N8O3S.C21H18ClF3N8O3S.C20H17ClF3N7O3S.C19H15ClF3N7O3S.C18H13ClF3N7O3S/c1-12(23-32-10-18(40-23)22(39)36-19-5-14(24(26,27)28)15(25)9-30-19)35-21(38)17-6-16(33-11-34-17)20(37)31-8-13-3-2-4-29-7-13;1-11(33-19(36)15-7-16(32-10-31-15)20(37)34-12-2-4-28-5-3-12)22-30-9-17(39-22)21(38)35-18-6-13(23(25,26)27)14(24)8-29-18;1-9(31-17(34)13-3-14(30-8-29-13)18(35)32-10-4-26-5-10)20-28-7-15(37-20)19(36)33-16-2-11(21(23,24)25)12(22)6-27-16;1-3-25-16(32)12-5-13(29-8-28-12)17(33)30-9(2)19-27-7-14(35-19)18(34)31-15-4-10(20(22,23)24)11(21)6-26-15;1-8(29-16(32)12-4-11(15(31)24-2)27-7-28-12)18-26-6-13(34-18)17(33)30-14-3-9(19(21,22)23)10(20)5-25-14;1-7(28-15(31)11-3-10(14(23)30)26-6-27-11)17-25-5-12(33-17)16(32)29-13-2-8(18(20,21)22)9(19)4-24-13/h2-7,9-12H,8H2,1H3,(H,31,37)(H,35,38)(H,30,36,39);6-12,28H,2-5H2,1H3,(H,33,36)(H,34,37)(H,29,35,38);2-3,6-10,26H,4-5H2,1H3,(H,31,34)(H,32,35)(H,27,33,36);4-9H,3H2,1-2H3,(H,25,32)(H,30,33)(H,26,31,34);3-8H,1-2H3,(H,24,31)(H,29,32)(H,25,30,33);2-7H,1H3,(H2,23,30)(H,28,31)(H,24,29,32)/t;11-;2*9-;8-;7-/m.11111/s1
InChIKeyUVFNGUYBQZZNTF-QCWQTAACSA-N
XLogP19.18
TPSA884.10 Ų
H-Bond Donors20
H-Bond Acceptors51
Rotatable Bonds41
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003270.58
LogP ≤ 519.18
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1051

Analyze 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide with MolForge

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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-[[5-chloro-6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
CID 25159602
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[(6-pyrimidin-5-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25160274
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[(1R)-1-[(6-pyrimidin-5-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25160275
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-(pyridin-2-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25161043
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-(pyridin-4-ylamino)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25161044
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-[(5-fluoropyridin-2-yl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25161174
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-[(6-fluoropyridin-2-yl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25161293
N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-2-[1-[[6-[2-(pyridin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569396
4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
CID 57569406
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)pyridin-2-yl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 57569479

Frequently Asked Questions

What is the IUPAC name of 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide (CID 161202958) is 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide is CC(NC(=O)c1cc(C(=O)NCc2cccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCNC(=O)c1cc(C(=O)N[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CNC(=O)c1cc(C(=O)N[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.C[C@@H](NC(=O)c1cc(C(=O)NC2CCNCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](NC(=O)c1cc(C(=O)NC2CNC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](NC(=O)c1cc(C(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is UVFNGUYBQZZNTF-QCWQTAACSA-N. The full InChI is InChI=1S/C24H18ClF3N8O3S.C23H22ClF3N8O3S.C21H18ClF3N8O3S.C20H17ClF3N7O3S.C19H15ClF3N7O3S.C18H13ClF3N7O3S/c1-12(23-32-10-18(40-23)22(39)36-19-5-14(24(26,27)28)15(25)9-30-19)35-21(38)17-6-16(33-11-34-17)20(37)31-8-13-3-2-4-29-7-13;1-11(33-19(36)15-7-16(32-10-31-15)20(37)34-12-2-4-28-5-3-12)22-30-9-17(39-22)21(38)35-18-6-13(23(25,26)27)14(24)8-29-18;1-9(31-17(34)13-3-14(30-8-29-13)18(35)32-10-4-26-5-10)20-28-7-15(37-20)19(36)33-16-2-11(21(23,24)25)12(22)6-27-16;1-3-25-16(32)12-5-13(29-8-28-12)17(33)30-9(2)19-27-7-14(35-19)18(34)31-15-4-10(20(22,23)24)11(21)6-26-15;1-8(29-16(32)12-4-11(15(31)24-2)27-7-28-12)18-26-6-13(34-18)17(33)30-14-3-9(19(21,22)23)10(20)5-25-14;1-7(28-15(31)11-3-10(14(23)30)26-6-27-11)17-25-5-12(33-17)16(32)29-13-2-8(18(20,21)22)9(19)4-24-13/h2-7,9-12H,8H2,1H3,(H,31,37)(H,35,38)(H,30,36,39);6-12,28H,2-5H2,1H3,(H,33,36)(H,34,37)(H,29,35,38);2-3,6-10,26H,4-5H2,1H3,(H,31,34)(H,32,35)(H,27,33,36);4-9H,3H2,1-2H3,(H,25,32)(H,30,33)(H,26,31,34);3-8H,1-2H3,(H,24,31)(H,29,32)(H,25,30,33);2-7H,1H3,(H2,23,30)(H,28,31)(H,24,29,32)/t;11-;2*9-;8-;7-/m.11111/s1.
What are the key properties of 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide?
6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 3270.58 g/mol, XLogP of 19.18, 41 rotatable bonds, 20 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(azetidin-3-yl)-4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-methylpyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-piperidin-4-ylpyrimidine-4,6-dicarboxamide;4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide;4-N-[(1R)-1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 161202958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).