2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C118H88Cl2F19N39O6 — CID 159424641

IUPAC2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)(O)c1nc2c(-c3cc(Cl)nc(C(F)(F)F)c3)c(-c3ccc(F)cc3)nc(N)n2n1.Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(C(C)(C)O)nc23)cc(C(F)(F)F)n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3ccc(C)o3)nc(N)n2n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3ccc(F)cc3)nc(N)n2n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(Cl)c3)c(-c3ccc(F)cc3)nc(N)n2n1
InChIInChI=1S/C22H21F3N6O3.C21H18F4N6O.C20H15ClF4N6O.C19H11F4N7.C18H11ClFN7.C18H12F3N7O/c1-11-7-13(8-16(27-11)22(23,24)25)18-19(15-4-3-12(2)34-15)29-21(26)31-20(18)28-17(30-31)10-33-14-5-6-32-9-14;1-10-8-12(9-14(27-10)21(23,24)25)15-16(11-4-6-13(22)7-5-11)28-19(26)31-17(15)29-18(30-31)20(2,3)32;1-19(2,32)17-29-16-14(10-7-12(20(23,24)25)27-13(21)8-10)15(28-18(26)31(16)30-17)9-3-5-11(22)6-4-9;1-9-7-11(8-13(26-9)19(21,22)23)14-15(10-3-5-12(20)6-4-10)27-17(24)30-16(14)28-18(25-2)29-30;1-9-7-11(8-13(19)23-9)14-15(10-3-5-12(20)6-4-10)24-17(21)27-16(14)25-18(22-2)26-27;1-8-6-10(7-12(24-8)18(19,20)21)13-14(11-5-4-9(2)29-11)25-16(22)28-15(13)26-17(23-3)27-28/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H2,26,29);4-9,32H,1-3H3,(H2,26,28);3-8,32H,1-2H3,(H2,26,28);3-8H,1H3,(H2,24,27);3-8H,1H3,(H2,21,24);4-7H,1-2H3,(H2,22,25)/t14-;;;;;/m0...../s1
InChIKeyLQESROFZCJHTNQ-FAYOTWMKSA-N
MW2580.14 g/mol
LogP25.33
Rot. Bonds17

About 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 159424641) has the molecular formula C118H88Cl2F19N39O6 and a molecular weight of 2580.14 g/mol. Its IUPAC name is 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID159424641
Molecular FormulaC118H88Cl2F19N39O6
Molecular Weight2580.14 g/mol
Exact Mass2577.69
IUPAC Name2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCC(C)(O)c1nc2c(-c3cc(Cl)nc(C(F)(F)F)c3)c(-c3ccc(F)cc3)nc(N)n2n1.Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(C(C)(C)O)nc23)cc(C(F)(F)F)n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3ccc(C)o3)nc(N)n2n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3ccc(F)cc3)nc(N)n2n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(Cl)c3)c(-c3ccc(F)cc3)nc(N)n2n1
InChIInChI=1S/C22H21F3N6O3.C21H18F4N6O.C20H15ClF4N6O.C19H11F4N7.C18H11ClFN7.C18H12F3N7O/c1-11-7-13(8-16(27-11)22(23,24)25)18-19(15-4-3-12(2)34-15)29-21(26)31-20(18)28-17(30-31)10-33-14-5-6-32-9-14;1-10-8-12(9-14(27-10)21(23,24)25)15-16(11-4-6-13(22)7-5-11)28-19(26)31-17(15)29-18(30-31)20(2,3)32;1-19(2,32)17-29-16-14(10-7-12(20(23,24)25)27-13(21)8-10)15(28-18(26)31(16)30-17)9-3-5-11(22)6-4-9;1-9-7-11(8-13(26-9)19(21,22)23)14-15(10-3-5-12(20)6-4-10)27-17(24)30-16(14)28-18(25-2)29-30;1-9-7-11(8-13(19)23-9)14-15(10-3-5-12(20)6-4-10)24-17(21)27-16(14)25-18(22-2)26-27;1-8-6-10(7-12(24-8)18(19,20)21)13-14(11-5-4-9(2)29-11)25-16(22)28-15(13)26-17(23-3)27-28/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H2,26,29);4-9,32H,1-3H3,(H2,26,28);3-8,32H,1-2H3,(H2,26,28);3-8H,1H3,(H2,24,27);3-8H,1H3,(H2,21,24);4-7H,1-2H3,(H2,22,25)/t14-;;;;;/m0...../s1
InChIKeyLQESROFZCJHTNQ-FAYOTWMKSA-N
XLogP25.33
TPSA590.22 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds17
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002580.14
LogP ≤ 525.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 159424641) is 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CC(C)(O)c1nc2c(-c3cc(Cl)nc(C(F)(F)F)c3)c(-c3ccc(F)cc3)nc(N)n2n1.Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO[C@H]4CCOC4)nc23)cc(C(F)(F)F)n1.Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(C(C)(C)O)nc23)cc(C(F)(F)F)n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3ccc(C)o3)nc(N)n2n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(C(F)(F)F)c3)c(-c3ccc(F)cc3)nc(N)n2n1.[C-]#[N+]c1nc2c(-c3cc(C)nc(Cl)c3)c(-c3ccc(F)cc3)nc(N)n2n1.
What is the InChIKey of 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is LQESROFZCJHTNQ-FAYOTWMKSA-N. The full InChI is InChI=1S/C22H21F3N6O3.C21H18F4N6O.C20H15ClF4N6O.C19H11F4N7.C18H11ClFN7.C18H12F3N7O/c1-11-7-13(8-16(27-11)22(23,24)25)18-19(15-4-3-12(2)34-15)29-21(26)31-20(18)28-17(30-31)10-33-14-5-6-32-9-14;1-10-8-12(9-14(27-10)21(23,24)25)15-16(11-4-6-13(22)7-5-11)28-19(26)31-17(15)29-18(30-31)20(2,3)32;1-19(2,32)17-29-16-14(10-7-12(20(23,24)25)27-13(21)8-10)15(28-18(26)31(16)30-17)9-3-5-11(22)6-4-9;1-9-7-11(8-13(26-9)19(21,22)23)14-15(10-3-5-12(20)6-4-10)27-17(24)30-16(14)28-18(25-2)29-30;1-9-7-11(8-13(19)23-9)14-15(10-3-5-12(20)6-4-10)24-17(21)27-16(14)25-18(22-2)26-27;1-8-6-10(7-12(24-8)18(19,20)21)13-14(11-5-4-9(2)29-11)25-16(22)28-15(13)26-17(23-3)27-28/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H2,26,29);4-9,32H,1-3H3,(H2,26,28);3-8,32H,1-2H3,(H2,26,28);3-8H,1H3,(H2,24,27);3-8H,1H3,(H2,21,24);4-7H,1-2H3,(H2,22,25)/t14-;;;;;/m0...../s1.
What are the key properties of 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 2580.14 g/mol, XLogP of 25.33, 17 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;2-[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propan-2-ol;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-2-isocyano-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-isocyano-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-isocyano-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-[[(3S)-oxolan-3-yl]oxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 159424641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).