6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine

C156H111Cl7F24N56O11 — CID 158681874

IUPAC6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine
SMILESCNC(=O)c1cc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)ccn1.FC(F)(F)c1cc(Nc2n[nH]c(-c3cccc(Oc4ccncc4)c3)n2)ccc1Cl.Nc1cc(Oc2ccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)cc2)nc(N)n1.Nc1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)nc(N)n1.Nc1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)nc(N)n1.Nc1cc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)nc(N)n1.Nc1ccc(Oc2ccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)cc2)nn1.Nc1ccc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)nn1
InChIInChI=1S/C22H16ClF3N6O2.C20H13ClF3N5O.2C19H14ClF3N8O.C19H13ClF3N7O2.2C19H13ClF3N7O.C19H15F3N8O2/c1-27-20(33)18-11-15(7-8-28-18)34-14-4-2-3-12(9-14)19-30-21(32-31-19)29-13-5-6-17(23)16(10-13)22(24,25)26;21-17-5-4-13(11-16(17)20(22,23)24)26-19-27-18(28-29-19)12-2-1-3-15(10-12)30-14-6-8-25-9-7-14;20-13-6-3-10(7-12(13)19(21,22)23)26-18-29-16(30-31-18)9-1-4-11(5-2-9)32-15-8-14(24)27-17(25)28-15;20-13-5-4-10(7-12(13)19(21,22)23)26-18-29-16(30-31-18)9-2-1-3-11(6-9)32-15-8-14(24)27-17(25)28-15;20-13-6-3-10(7-12(13)19(21,22)23)26-18-30-29-16(32-18)9-1-4-11(5-2-9)31-15-8-14(24)27-17(25)28-15;20-14-6-3-11(9-13(14)19(21,22)23)25-18-26-17(29-30-18)10-1-4-12(5-2-10)31-16-8-7-15(24)27-28-16;20-14-5-4-11(9-13(14)19(21,22)23)25-18-26-17(29-30-18)10-2-1-3-12(8-10)31-16-7-6-15(24)27-28-16;20-19(21,22)32-13-5-1-10(2-6-13)16-28-18(30-29-16)25-11-3-7-12(8-4-11)31-15-9-14(23)26-17(24)27-15/h2-11H,1H3,(H,27,33)(H2,29,30,31,32);1-11H,(H2,26,27,28,29);2*1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-8H,(H,26,30)(H4,24,25,27,28);2*1-9H,(H2,24,27)(H2,25,26,29,30);1-9H,(H4,23,24,26,27)(H2,25,28,29,30)
InChIKeyIFFRYPXEQSXEPN-UHFFFAOYSA-N
MW3650.11 g/mol
LogP39.64
Rot. Bonds42

About 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine

6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine (PubChem CID 158681874) has the molecular formula C156H111Cl7F24N56O11 and a molecular weight of 3650.11 g/mol. Its IUPAC name is 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine
PubChem CID158681874
Molecular FormulaC156H111Cl7F24N56O11
Molecular Weight3650.11 g/mol
Exact Mass3644.73
IUPAC Name6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine
SMILESCNC(=O)c1cc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)ccn1.FC(F)(F)c1cc(Nc2n[nH]c(-c3cccc(Oc4ccncc4)c3)n2)ccc1Cl.Nc1cc(Oc2ccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)cc2)nc(N)n1.Nc1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)nc(N)n1.Nc1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)nc(N)n1.Nc1cc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)nc(N)n1.Nc1ccc(Oc2ccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)cc2)nn1.Nc1ccc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)nn1
InChIInChI=1S/C22H16ClF3N6O2.C20H13ClF3N5O.2C19H14ClF3N8O.C19H13ClF3N7O2.2C19H13ClF3N7O.C19H15F3N8O2/c1-27-20(33)18-11-15(7-8-28-18)34-14-4-2-3-12(9-14)19-30-21(32-31-19)29-13-5-6-17(23)16(10-13)22(24,25)26;21-17-5-4-13(11-16(17)20(22,23)24)26-19-27-18(28-29-19)12-2-1-3-15(10-12)30-14-6-8-25-9-7-14;20-13-6-3-10(7-12(13)19(21,22)23)26-18-29-16(30-31-18)9-1-4-11(5-2-9)32-15-8-14(24)27-17(25)28-15;20-13-5-4-10(7-12(13)19(21,22)23)26-18-29-16(30-31-18)9-2-1-3-11(6-9)32-15-8-14(24)27-17(25)28-15;20-13-6-3-10(7-12(13)19(21,22)23)26-18-30-29-16(32-18)9-1-4-11(5-2-9)31-15-8-14(24)27-17(25)28-15;20-14-6-3-11(9-13(14)19(21,22)23)25-18-26-17(29-30-18)10-1-4-12(5-2-10)31-16-8-7-15(24)27-28-16;20-14-5-4-11(9-13(14)19(21,22)23)25-18-26-17(29-30-18)10-2-1-3-12(8-10)31-16-7-6-15(24)27-28-16;20-19(21,22)32-13-5-1-10(2-6-13)16-28-18(30-29-16)25-11-3-7-12(8-4-11)31-15-9-14(23)26-17(24)27-15/h2-11H,1H3,(H,27,33)(H2,29,30,31,32);1-11H,(H2,26,27,28,29);2*1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-8H,(H,26,30)(H4,24,25,27,28);2*1-9H,(H2,24,27)(H2,25,26,29,30);1-9H,(H4,23,24,26,27)(H2,25,28,29,30)
InChIKeyIFFRYPXEQSXEPN-UHFFFAOYSA-N
XLogP39.64
TPSA978.98 Ų
H-Bond Donors26
H-Bond Acceptors59
Rotatable Bonds42
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003650.11
LogP ≤ 539.64
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1059

Analyze 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine (CID 158681874) is 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine is CNC(=O)c1cc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)ccn1.FC(F)(F)c1cc(Nc2n[nH]c(-c3cccc(Oc4ccncc4)c3)n2)ccc1Cl.Nc1cc(Oc2ccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)cc2)nc(N)n1.Nc1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)nc(N)n1.Nc1cc(Oc2ccc(Nc3n[nH]c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)nc(N)n1.Nc1cc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)nc(N)n1.Nc1ccc(Oc2ccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)cc2)nn1.Nc1ccc(Oc2cccc(-c3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)n[nH]3)c2)nn1.
What is the InChIKey of 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?
The InChIKey is IFFRYPXEQSXEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N6O2.C20H13ClF3N5O.2C19H14ClF3N8O.C19H13ClF3N7O2.2C19H13ClF3N7O.C19H15F3N8O2/c1-27-20(33)18-11-15(7-8-28-18)34-14-4-2-3-12(9-14)19-30-21(32-31-19)29-13-5-6-17(23)16(10-13)22(24,25)26;21-17-5-4-13(11-16(17)20(22,23)24)26-19-27-18(28-29-19)12-2-1-3-15(10-12)30-14-6-8-25-9-7-14;20-13-6-3-10(7-12(13)19(21,22)23)26-18-29-16(30-31-18)9-1-4-11(5-2-9)32-15-8-14(24)27-17(25)28-15;20-13-5-4-10(7-12(13)19(21,22)23)26-18-29-16(30-31-18)9-2-1-3-11(6-9)32-15-8-14(24)27-17(25)28-15;20-13-6-3-10(7-12(13)19(21,22)23)26-18-30-29-16(32-18)9-1-4-11(5-2-9)31-15-8-14(24)27-17(25)28-15;20-14-6-3-11(9-13(14)19(21,22)23)25-18-26-17(29-30-18)10-1-4-12(5-2-10)31-16-8-7-15(24)27-28-16;20-14-5-4-11(9-13(14)19(21,22)23)25-18-26-17(29-30-18)10-2-1-3-12(8-10)31-16-7-6-15(24)27-28-16;20-19(21,22)32-13-5-1-10(2-6-13)16-28-18(30-29-16)25-11-3-7-12(8-4-11)31-15-9-14(23)26-17(24)27-15/h2-11H,1H3,(H,27,33)(H2,29,30,31,32);1-11H,(H2,26,27,28,29);2*1-8H,(H4,24,25,27,28)(H2,26,29,30,31);1-8H,(H,26,30)(H4,24,25,27,28);2*1-9H,(H2,24,27)(H2,25,26,29,30);1-9H,(H4,23,24,26,27)(H2,25,28,29,30).
What are the key properties of 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine?
6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine has a molecular weight of 3650.11 g/mol, XLogP of 39.64, 42 rotatable bonds, 26 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-methylpyridine-2-carboxamide;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyridazin-3-amine;6-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;6-[4-[3-[4-chloro-3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidine-2,4-diamine;N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[[5-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]amino]phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 158681874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).