4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C125H103F15N44O4 — CID 159964486

IUPAC4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1ncnc(Nc2cc(-c3ccc(F)cc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3cccc(F)c3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3ccccc3F)[nH]n2)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3ncnc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)cc1OC.C[C@H](Nc1ncnc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)n1)c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N9.C22H21F2N7O2.C21H17F2N7O2.3C20H16F3N7/c1-12(15-4-3-14(23)9-16(15)24)29-21-27-11-28-22(31-21)30-20-10-18(32-33-20)13-2-5-17-19(8-13)26-7-6-25-17;1-12(15-6-5-14(23)9-16(15)24)27-21-25-11-26-22(29-21)28-20-10-17(30-31-20)13-4-7-18(32-2)19(8-13)33-3;1-11(14-4-3-13(22)7-15(14)23)26-20-24-9-25-21(28-20)27-19-8-16(29-30-19)12-2-5-17-18(6-12)32-10-31-17;1-11(15-7-6-14(22)8-16(15)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)12-2-4-13(21)5-3-12;1-11(15-6-5-14(22)8-16(15)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)12-3-2-4-13(21)7-12;1-11(13-7-6-12(21)8-16(13)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)14-4-2-3-5-15(14)22/h2-12H,1H3,(H3,27,28,29,30,31,32,33);4-12H,1-3H3,(H3,25,26,27,28,29,30,31);2-9,11H,10H2,1H3,(H3,24,25,26,27,28,29,30);3*2-11H,1H3,(H3,24,25,26,27,28,29,30)/t12-;;;;;/m0...../s1
InChIKeyODTGMGQNXATARW-SXZTZMMXSA-N
MW2570.47 g/mol
LogP26.85
Rot. Bonds38

About 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159964486) has the molecular formula C125H103F15N44O4 and a molecular weight of 2570.47 g/mol. Its IUPAC name is 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID159964486
Molecular FormulaC125H103F15N44O4
Molecular Weight2570.47 g/mol
Exact Mass2568.90
IUPAC Name4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1ncnc(Nc2cc(-c3ccc(F)cc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3cccc(F)c3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3ccccc3F)[nH]n2)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3ncnc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)cc1OC.C[C@H](Nc1ncnc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)n1)c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N9.C22H21F2N7O2.C21H17F2N7O2.3C20H16F3N7/c1-12(15-4-3-14(23)9-16(15)24)29-21-27-11-28-22(31-21)30-20-10-18(32-33-20)13-2-5-17-19(8-13)26-7-6-25-17;1-12(15-6-5-14(23)9-16(15)24)27-21-25-11-26-22(29-21)28-20-10-17(30-31-20)13-4-7-18(32-2)19(8-13)33-3;1-11(14-4-3-13(22)7-15(14)23)26-20-24-9-25-21(28-20)27-19-8-16(29-30-19)12-2-5-17-18(6-12)32-10-31-17;1-11(15-7-6-14(22)8-16(15)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)12-2-4-13(21)5-3-12;1-11(15-6-5-14(22)8-16(15)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)12-3-2-4-13(21)7-12;1-11(13-7-6-12(21)8-16(13)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)14-4-2-3-5-15(14)22/h2-12H,1H3,(H3,27,28,29,30,31,32,33);4-12H,1-3H3,(H3,25,26,27,28,29,30,31);2-9,11H,10H2,1H3,(H3,24,25,26,27,28,29,30);3*2-11H,1H3,(H3,24,25,26,27,28,29,30)/t12-;;;;;/m0...../s1
InChIKeyODTGMGQNXATARW-SXZTZMMXSA-N
XLogP26.85
TPSA611.16 Ų
H-Bond Donors18
H-Bond Acceptors42
Rotatable Bonds38
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002570.47
LogP ≤ 526.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1042

Analyze 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[1,3-benzodioxol-5-yl-[2-[(3,5-difluorophenyl)methylamino]-9-(1H-indazol-6-yl)purin-7-ium-7-yl]methyl]-9-(1H-indazol-6-yl)-7-[[[9-(1H-indazol-6-yl)purin-2-yl]-[(3-methoxyphenyl)methyl]amino]methyl]purin-7-ium-2-amine
CID 123612219
(2R)-N-[[5-[6-[6-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-4-yl]-2-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-2-fluorocyclohexan-1-amine
CID 139569424
4-N-(1,3-benzodioxol-5-yl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;2-(5,7-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-4-N-(4-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine
CID 158438987
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159241762
N-(1H-benzimidazol-2-ylmethyl)-2-(4,4-difluoropiperidin-1-yl)-9-(3-methylphenyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-(3-phenylphenyl)purin-6-amine;N-(1,3-benzodioxol-5-ylmethyl)-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine
CID 159931006
1-[5-[3-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine;2,2-difluoro-6-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5H-[1,3]dioxolo[4,5-f]benzimidazole;1-[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine;6-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 160115728
5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole
CID 160697140
1-[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]-3-ethylurea;1-ethyl-3-(5-fluoro-4-pyrazol-1-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea;1-ethyl-3-[6-(6-methoxy-3-pyridinyl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[6-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-yl-1H-benzimidazol-2-yl]urea
CID 161131110
4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 161293686
4-(5-amino-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-2-chlorophenol;4-(5-amino-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)-2-methylphenol;8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(1,3-benzodioxol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(3-chloro-4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(4-fluoro-3-methylphenyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(1H-indazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(7-methyl-1H-indazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-phenyl-8-[3-(trifluoromethyl)-2H-indazol-5-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 161464849
4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[4-(4-methylphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161753275
2,4-dimethyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-6-propan-2-ylpyrimidine;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;6-fluoro-2-propan-2-ylquinoxaline;methane;3-methyl-5-(oxan-4-yl)-2-propan-2-ylpyrazine;1-methyl-6-propan-2-ylpyrazolo[3,4-b]pyrazine;2-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine;6-propan-2-yl-1H-pyrazolo[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;4-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene;4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 161798511

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 159964486) is 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1ncnc(Nc2cc(-c3ccc(F)cc3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3ccc4c(c3)OCO4)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3cccc(F)c3)[nH]n2)n1)c1ccc(F)cc1F.CC(Nc1ncnc(Nc2cc(-c3ccccc3F)[nH]n2)n1)c1ccc(F)cc1F.COc1ccc(-c2cc(Nc3ncnc(NC(C)c4ccc(F)cc4F)n3)n[nH]2)cc1OC.C[C@H](Nc1ncnc(Nc2cc(-c3ccc4nccnc4c3)[nH]n2)n1)c1ccc(F)cc1F.
What is the InChIKey of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ODTGMGQNXATARW-SXZTZMMXSA-N. The full InChI is InChI=1S/C22H17F2N9.C22H21F2N7O2.C21H17F2N7O2.3C20H16F3N7/c1-12(15-4-3-14(23)9-16(15)24)29-21-27-11-28-22(31-21)30-20-10-18(32-33-20)13-2-5-17-19(8-13)26-7-6-25-17;1-12(15-6-5-14(23)9-16(15)24)27-21-25-11-26-22(29-21)28-20-10-17(30-31-20)13-4-7-18(32-2)19(8-13)33-3;1-11(14-4-3-13(22)7-15(14)23)26-20-24-9-25-21(28-20)27-19-8-16(29-30-19)12-2-5-17-18(6-12)32-10-31-17;1-11(15-7-6-14(22)8-16(15)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)12-2-4-13(21)5-3-12;1-11(15-6-5-14(22)8-16(15)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)12-3-2-4-13(21)7-12;1-11(13-7-6-12(21)8-16(13)23)26-19-24-10-25-20(28-19)27-18-9-17(29-30-18)14-4-2-3-5-15(14)22/h2-12H,1H3,(H3,27,28,29,30,31,32,33);4-12H,1-3H3,(H3,25,26,27,28,29,30,31);2-9,11H,10H2,1H3,(H3,24,25,26,27,28,29,30);3*2-11H,1H3,(H3,24,25,26,27,28,29,30)/t12-;;;;;/m0...../s1.
What are the key properties of 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2570.47 g/mol, XLogP of 26.85, 38 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-N-(5-quinoxalin-6-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159964486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).