2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

C72H60F3N33OS2 — CID 161121873

About 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (PubChem CID 161121873) has the molecular formula C72H60F3N33OS2 and a molecular weight of 1524.63 g/mol. Its IUPAC name is 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
• PubChem CID: 161121873
• Molecular Formula: C72H60F3N33OS2
• Molecular Weight: 1524.63 g/mol
• Exact Mass: 1523.51
• IUPAC Name: 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
• SMILES: FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccn5cccc5n4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccsc5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCC6)c5)nc43)cn2c1.c1cc2sc(Cn3nnc4ncc(-c5cnn(C6CNC6)c5)nc43)cc2[nH]1
• InChI: InChI=1S/C20H18N8.C18H15N7OS.C17H12F3N9.C17H15N9S/c1-3-17(4-1)27-13-15(9-22-27)18-10-21-19-20(23-18)28(25-24-19)12-14-6-7-16-5-2-8-26(16)11-14;26-5-4-24-11-14(8-20-24)15-9-19-17-18(21-15)25(23-22-17)10-12-1-2-13-3-6-27-16(13)7-12;18-17(19,20)10-28-8-11(6-22-28)13-7-21-15-16(24-13)29(26-25-15)9-12-3-5-27-4-1-2-14(27)23-12;1-2-19-13-3-12(27-15(1)13)9-26-17-16(23-24-26)20-7-14(22-17)10-4-21-25(8-10)11-5-18-6-11/h2,5-11,13,17H,1,3-4,12H2;1-3,6-9,11,26H,4-5,10H2;1-8H,9-10H2;1-4,7-8,11,18-19H,5-6,9H2
• InChIKey: ULBAVRDESTVUOE-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 367.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.63
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

The IUPAC name of 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (CID 161121873) is 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.

What is the SMILES notation for 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

The canonical SMILES for 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccn5cccc5n4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4ccc5ccsc5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCC6)c5)nc43)cn2c1.c1cc2sc(Cn3nnc4ncc(-c5cnn(C6CNC6)c5)nc43)cc2[nH]1.

What is the InChIKey of 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

The InChIKey is ULBAVRDESTVUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8.C18H15N7OS.C17H12F3N9.C17H15N9S/c1-3-17(4-1)27-13-15(9-22-27)18-10-21-19-20(23-18)28(25-24-19)12-14-6-7-16-5-2-8-26(16)11-14;26-5-4-24-11-14(8-20-24)15-9-19-17-18(21-15)25(23-22-17)10-12-1-2-13-3-6-27-16(13)7-12;18-17(19,20)10-28-8-11(6-22-28)13-7-21-15-16(24-13)29(26-25-15)9-12-3-5-27-4-1-2-14(27)23-12;1-2-19-13-3-12(27-15(1)13)9-26-17-16(23-24-26)20-7-14(22-17)10-4-21-25(8-10)11-5-18-6-11/h2,5-11,13,17H,1,3-4,12H2;1-3,6-9,11,26H,4-5,10H2;1-8H,9-10H2;1-4,7-8,11,18-19H,5-6,9H2.

What are the key properties of 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?

2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine has a molecular weight of 1524.63 g/mol, XLogP of 9.61, 17 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[1-(azetidin-3-yl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;2-[4-[3-(1-benzothiophen-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;5-(1-cyclobutylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 161121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).