N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)

C90H81BrF8N30O6 — CID 159594537

IUPACN-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)
SMILESCc1ccc(-c2nc(N)nc3c(N(C(=O)C(F)(F)F)c4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(N)nc3c(Nc4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(N)nc3c(Nc4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(N)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4ccccc4F)cnn23)o1.Fc1ccccc1Br
InChIInChI=1S/C20H21FN6O.C18H12F4N6O2.2C16H13FN6O.C14H18N6O.C6H4BrF/c1-12-9-10-16(28-12)18-25-19(26-20(2,3)4)24-17-15(11-22-27(17)18)23-14-8-6-5-7-13(14)21;1-9-6-7-13(30-9)15-26-17(23)25-14-12(8-24-28(14)15)27(16(29)18(20,21)22)11-5-3-2-4-10(11)19;2*1-9-6-7-13(24-9)15-22-16(18)21-14-12(8-19-23(14)15)20-11-5-3-2-4-10(11)17;1-8-5-6-10(21-8)12-18-13(19-14(2,3)4)17-11-9(15)7-16-20(11)12;7-5-3-1-2-4-6(5)8/h5-11,23H,1-4H3,(H,24,26);2-8H,1H3,(H2,23,25);2*2-8,20H,1H3,(H2,18,21);5-7H,15H2,1-4H3,(H,17,19);1-4H
InChIKeyMKQZFCFIHJMIPS-UHFFFAOYSA-N
MW1910.73 g/mol
LogP19.82
Rot. Bonds15

About N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)

N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine) (PubChem CID 159594537) has the molecular formula C90H81BrF8N30O6 and a molecular weight of 1910.73 g/mol. Its IUPAC name is N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine).

Molecular Properties

Compound NameN-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)
PubChem CID159594537
Molecular FormulaC90H81BrF8N30O6
Molecular Weight1910.73 g/mol
Exact Mass1908.60
IUPAC NameN-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)
SMILESCc1ccc(-c2nc(N)nc3c(N(C(=O)C(F)(F)F)c4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(N)nc3c(Nc4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(N)nc3c(Nc4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(N)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4ccccc4F)cnn23)o1.Fc1ccccc1Br
InChIInChI=1S/C20H21FN6O.C18H12F4N6O2.2C16H13FN6O.C14H18N6O.C6H4BrF/c1-12-9-10-16(28-12)18-25-19(26-20(2,3)4)24-17-15(11-22-27(17)18)23-14-8-6-5-7-13(14)21;1-9-6-7-13(30-9)15-26-17(23)25-14-12(8-24-28(14)15)27(16(29)18(20,21)22)11-5-3-2-4-10(11)19;2*1-9-6-7-13(24-9)15-22-16(18)21-14-12(8-19-23(14)15)20-11-5-3-2-4-10(11)17;1-8-5-6-10(21-8)12-18-13(19-14(2,3)4)17-11-9(15)7-16-20(11)12;7-5-3-1-2-4-6(5)8/h5-11,23H,1-4H3,(H,24,26);2-8H,1H3,(H2,23,25);2*2-8,20H,1H3,(H2,18,21);5-7H,15H2,1-4H3,(H,17,19);1-4H
InChIKeyMKQZFCFIHJMIPS-UHFFFAOYSA-N
XLogP19.82
TPSA465.64 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001910.73
LogP ≤ 519.82
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)?
The IUPAC name of N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine) (CID 159594537) is N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine).
What is the SMILES notation for N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)?
The canonical SMILES for N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine) is Cc1ccc(-c2nc(N)nc3c(N(C(=O)C(F)(F)F)c4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(N)nc3c(Nc4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(N)nc3c(Nc4ccccc4F)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(N)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4ccccc4F)cnn23)o1.Fc1ccccc1Br.
What is the InChIKey of N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)?
The InChIKey is MKQZFCFIHJMIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O.C18H12F4N6O2.2C16H13FN6O.C14H18N6O.C6H4BrF/c1-12-9-10-16(28-12)18-25-19(26-20(2,3)4)24-17-15(11-22-27(17)18)23-14-8-6-5-7-13(14)21;1-9-6-7-13(30-9)15-26-17(23)25-14-12(8-24-28(14)15)27(16(29)18(20,21)22)11-5-3-2-4-10(11)19;2*1-9-6-7-13(24-9)15-22-16(18)21-14-12(8-19-23(14)15)20-11-5-3-2-4-10(11)17;1-8-5-6-10(21-8)12-18-13(19-14(2,3)4)17-11-9(15)7-16-20(11)12;7-5-3-1-2-4-6(5)8/h5-11,23H,1-4H3,(H,24,26);2-8H,1H3,(H2,23,25);2*2-8,20H,1H3,(H2,18,21);5-7H,15H2,1-4H3,(H,17,19);1-4H.
What are the key properties of N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine)?
N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine) has a molecular weight of 1910.73 g/mol, XLogP of 19.82, 15 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]-2,2,2-trifluoro-N-(2-fluorophenyl)acetamide;1-bromo-2-fluorobenzene;2-N-tert-butyl-8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;2-N-tert-butyl-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;bis(8-N-(2-fluorophenyl)-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine) is sourced from PubChem (CID 159594537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).