5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C96H79FN24O3 — CID 157160575

About 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 157160575) has the molecular formula C96H79FN24O3 and a molecular weight of 1635.85 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 157160575
• Molecular Formula: C96H79FN24O3
• Molecular Weight: 1635.85 g/mol
• Exact Mass: 1634.68
• IUPAC Name: 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: COC(=O)c1ccccc1CNc1nc(-c2cncc(C)c2)nn2ccc(-c3ccccc3)c12.Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4F)ccn3n2)c1.Cc1cncc(-c2nc(NCc3ccncn3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3ccon3)c3c(-c4ccccc4)ccn3n2)c1
• InChI: InChI=1S/C27H23N5O2.C24H19FN6.C23H19N7.C22H18N6O/c1-18-14-21(16-28-15-18)25-30-26(29-17-20-10-6-7-11-23(20)27(33)34-2)24-22(12-13-32(24)31-25)19-8-4-3-5-9-19;1-16-12-17(14-26-13-16)23-29-24(28-15-18-6-4-5-10-27-18)22-20(9-11-31(22)30-23)19-7-2-3-8-21(19)25;1-16-11-18(13-25-12-16)22-28-23(26-14-19-7-9-24-15-27-19)21-20(8-10-30(21)29-22)17-5-3-2-4-6-17;1-15-11-17(13-23-12-15)21-25-22(24-14-18-8-10-29-27-18)20-19(7-9-28(20)26-21)16-5-3-2-4-6-16/h3-16H,17H2,1-2H3,(H,29,30,31);2-14H,15H2,1H3,(H,28,29,30);2-13,15H,14H2,1H3,(H,26,28,29);2-13H,14H2,1H3,(H,24,25,26)
• InChIKey: AMIAEKXSIYANEQ-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 311.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1635.85
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 157160575) is 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COC(=O)c1ccccc1CNc1nc(-c2cncc(C)c2)nn2ccc(-c3ccccc3)c12.Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4F)ccn3n2)c1.Cc1cncc(-c2nc(NCc3ccncn3)c3c(-c4ccccc4)ccn3n2)c1.Cc1cncc(-c2nc(NCc3ccon3)c3c(-c4ccccc4)ccn3n2)c1.

What is the InChIKey of 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is AMIAEKXSIYANEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2.C24H19FN6.C23H19N7.C22H18N6O/c1-18-14-21(16-28-15-18)25-30-26(29-17-20-10-6-7-11-23(20)27(33)34-2)24-22(12-13-32(24)31-25)19-8-4-3-5-9-19;1-16-12-17(14-26-13-16)23-29-24(28-15-18-6-4-5-10-27-18)22-20(9-11-31(22)30-23)19-7-2-3-8-21(19)25;1-16-11-18(13-25-12-16)22-28-23(26-14-19-7-9-24-15-27-19)21-20(8-10-30(21)29-22)17-5-3-2-4-6-17;1-15-11-17(13-23-12-15)21-25-22(24-14-18-8-10-29-27-18)20-19(7-9-28(20)26-21)16-5-3-2-4-6-16/h3-16H,17H2,1-2H3,(H,29,30,31);2-14H,15H2,1H3,(H,28,29,30);2-13,15H,14H2,1H3,(H,26,28,29);2-13H,14H2,1H3,(H,24,25,26).

What are the key properties of 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1635.85 g/mol, XLogP of 18.61, 21 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 2-[[[2-(5-methyl-3-pyridinyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]methyl]benzoate;2-(5-methyl-3-pyridinyl)-N-(1,2-oxazol-3-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(pyrimidin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 157160575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).