N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C154H135Cl7F21N69O14S10 — CID 158407710

IUPACN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(NCCNc2ccn[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ccncn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2cnns2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ncc[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ncccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2nccs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2nncs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/2C23H20ClF3N10O2S.2C22H20ClF3N10O2S.C22H19ClF3N9O2S2.2C21H18ClF3N10O2S2/c1-12(22-32-9-16(40-22)21(39)37-19-6-13(23(25,26)27)14(24)8-31-19)36-20(38)15-7-18(35-11-33-15)30-5-4-29-17-2-3-28-10-34-17;1-12(21-33-10-16(40-21)20(39)37-18-7-13(23(25,26)27)14(24)9-32-18)36-19(38)15-8-17(35-11-34-15)28-5-6-31-22-29-3-2-4-30-22;1-11(35-18(37)14-7-16(34-10-33-14)27-2-3-28-21-29-4-5-30-21)20-32-9-15(39-20)19(38)36-17-6-12(22(24,25)26)13(23)8-31-17;1-11(34-19(37)14-7-17(32-10-31-14)28-5-4-27-16-2-3-33-36-16)21-30-9-15(39-21)20(38)35-18-6-12(22(24,25)26)13(23)8-29-18;1-11(34-18(36)14-7-16(33-10-32-14)27-2-3-28-21-29-4-5-38-21)20-31-9-15(39-20)19(37)35-17-6-12(22(24,25)26)13(23)8-30-17;1-10(33-17(36)13-5-15(31-8-30-13)26-2-3-27-20-35-32-9-38-20)19-29-7-14(39-19)18(37)34-16-4-11(21(23,24)25)12(22)6-28-16;1-10(33-18(36)13-5-15(31-9-30-13)26-2-3-27-17-8-32-35-39-17)20-29-7-14(38-20)19(37)34-16-4-11(21(23,24)25)12(22)6-28-16/h2-3,6-12H,4-5H2,1H3,(H,36,38)(H,28,29,34)(H,30,33,35)(H,31,37,39);2-4,7-12H,5-6H2,1H3,(H,36,38)(H,28,34,35)(H,29,30,31)(H,32,37,39);4-11H,2-3H2,1H3,(H,35,37)(H,27,33,34)(H2,28,29,30)(H,31,36,38);2-3,6-11H,4-5H2,1H3,(H,34,37)(H2,27,33,36)(H,28,31,32)(H,29,35,38);4-11H,2-3H2,1H3,(H,28,29)(H,34,36)(H,27,32,33)(H,30,35,37);4-10H,2-3H2,1H3,(H,27,35)(H,33,36)(H,26,30,31)(H,28,34,37);4-10,27H,2-3H2,1H3,(H,33,36)(H,26,30,31)(H,28,34,37)
InChIKeyGYXGMZXRZXYCKN-UHFFFAOYSA-N
MW4144.04 g/mol
LogP29.06
Rot. Bonds70

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 158407710) has the molecular formula C154H135Cl7F21N69O14S10 and a molecular weight of 4144.04 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID158407710
Molecular FormulaC154H135Cl7F21N69O14S10
Molecular Weight4144.04 g/mol
Exact Mass4137.67
IUPAC NameN-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(NCCNc2ccn[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ccncn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2cnns2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ncc[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ncccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2nccs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2nncs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/2C23H20ClF3N10O2S.2C22H20ClF3N10O2S.C22H19ClF3N9O2S2.2C21H18ClF3N10O2S2/c1-12(22-32-9-16(40-22)21(39)37-19-6-13(23(25,26)27)14(24)8-31-19)36-20(38)15-7-18(35-11-33-15)30-5-4-29-17-2-3-28-10-34-17;1-12(21-33-10-16(40-21)20(39)37-18-7-13(23(25,26)27)14(24)9-32-18)36-19(38)15-8-17(35-11-34-15)28-5-6-31-22-29-3-2-4-30-22;1-11(35-18(37)14-7-16(34-10-33-14)27-2-3-28-21-29-4-5-30-21)20-32-9-15(39-20)19(38)36-17-6-12(22(24,25)26)13(23)8-31-17;1-11(34-19(37)14-7-17(32-10-31-14)28-5-4-27-16-2-3-33-36-16)21-30-9-15(39-21)20(38)35-18-6-12(22(24,25)26)13(23)8-29-18;1-11(34-18(36)14-7-16(33-10-32-14)27-2-3-28-21-29-4-5-38-21)20-31-9-15(39-20)19(37)35-17-6-12(22(24,25)26)13(23)8-30-17;1-10(33-17(36)13-5-15(31-8-30-13)26-2-3-27-20-35-32-9-38-20)19-29-7-14(39-19)18(37)34-16-4-11(21(23,24)25)12(22)6-28-16;1-10(33-18(36)13-5-15(31-9-30-13)26-2-3-27-17-8-32-35-39-17)20-29-7-14(38-20)19(37)34-16-4-11(21(23,24)25)12(22)6-28-16/h2-3,6-12H,4-5H2,1H3,(H,36,38)(H,28,29,34)(H,30,33,35)(H,31,37,39);2-4,7-12H,5-6H2,1H3,(H,36,38)(H,28,34,35)(H,29,30,31)(H,32,37,39);4-11H,2-3H2,1H3,(H,35,37)(H,27,33,34)(H2,28,29,30)(H,31,36,38);2-3,6-11H,4-5H2,1H3,(H,34,37)(H2,27,33,36)(H,28,31,32)(H,29,35,38);4-11H,2-3H2,1H3,(H,28,29)(H,34,36)(H,27,32,33)(H,30,35,37);4-10H,2-3H2,1H3,(H,27,35)(H,33,36)(H,26,30,31)(H,28,34,37);4-10,27H,2-3H2,1H3,(H,33,36)(H,26,30,31)(H,28,34,37)
InChIKeyGYXGMZXRZXYCKN-UHFFFAOYSA-N
XLogP29.06
TPSA1110.11 Ų
H-Bond Donors30
H-Bond Acceptors77
Rotatable Bonds70
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004144.04
LogP ≤ 529.06
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1077

Computed Properties (RDKit)

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

Analyze N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 158407710) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(NCCNc2ccn[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ccncn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2cnns2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ncc[nH]2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2ncccn2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2nccs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(NC(=O)c1cc(NCCNc2nncs2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GYXGMZXRZXYCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20ClF3N10O2S.2C22H20ClF3N10O2S.C22H19ClF3N9O2S2.2C21H18ClF3N10O2S2/c1-12(22-32-9-16(40-22)21(39)37-19-6-13(23(25,26)27)14(24)8-31-19)36-20(38)15-7-18(35-11-33-15)30-5-4-29-17-2-3-28-10-34-17;1-12(21-33-10-16(40-21)20(39)37-18-7-13(23(25,26)27)14(24)9-32-18)36-19(38)15-8-17(35-11-34-15)28-5-6-31-22-29-3-2-4-30-22;1-11(35-18(37)14-7-16(34-10-33-14)27-2-3-28-21-29-4-5-30-21)20-32-9-15(39-20)19(38)36-17-6-12(22(24,25)26)13(23)8-31-17;1-11(34-19(37)14-7-17(32-10-31-14)28-5-4-27-16-2-3-33-36-16)21-30-9-15(39-21)20(38)35-18-6-12(22(24,25)26)13(23)8-29-18;1-11(34-18(36)14-7-16(33-10-32-14)27-2-3-28-21-29-4-5-38-21)20-31-9-15(39-20)19(37)35-17-6-12(22(24,25)26)13(23)8-30-17;1-10(33-17(36)13-5-15(31-8-30-13)26-2-3-27-20-35-32-9-38-20)19-29-7-14(39-19)18(37)34-16-4-11(21(23,24)25)12(22)6-28-16;1-10(33-18(36)13-5-15(31-9-30-13)26-2-3-27-17-8-32-35-39-17)20-29-7-14(38-20)19(37)34-16-4-11(21(23,24)25)12(22)6-28-16/h2-3,6-12H,4-5H2,1H3,(H,36,38)(H,28,29,34)(H,30,33,35)(H,31,37,39);2-4,7-12H,5-6H2,1H3,(H,36,38)(H,28,34,35)(H,29,30,31)(H,32,37,39);4-11H,2-3H2,1H3,(H,35,37)(H,27,33,34)(H2,28,29,30)(H,31,36,38);2-3,6-11H,4-5H2,1H3,(H,34,37)(H2,27,33,36)(H,28,31,32)(H,29,35,38);4-11H,2-3H2,1H3,(H,28,29)(H,34,36)(H,27,32,33)(H,30,35,37);4-10H,2-3H2,1H3,(H,27,35)(H,33,36)(H,26,30,31)(H,28,34,37);4-10,27H,2-3H2,1H3,(H,33,36)(H,26,30,31)(H,28,34,37).
What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 4144.04 g/mol, XLogP of 29.06, 70 rotatable bonds, 30 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-imidazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1H-pyrazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(pyrimidin-4-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3,4-thiadiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(thiadiazol-5-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[2-(1,3-thiazol-2-ylamino)ethylamino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158407710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).