5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C74H61ClF3N19O7S3 — CID 159094924

About 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 159094924) has the molecular formula C74H61ClF3N19O7S3 and a molecular weight of 1517.08 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 159094924
• Molecular Formula: C74H61ClF3N19O7S3
• Molecular Weight: 1517.08 g/mol
• Exact Mass: 1515.38
• IUPAC Name: 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CCOc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cc1S(N)(=O)=O.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4C(F)(F)F)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4Cl)ccn3n2)c1
• InChI: InChI=1S/C25H19F3N6O2S.C25H23N7O3S.C24H19ClN6O2S/c1-37(35,36)18-12-16(13-29-15-18)23-32-24(31-14-17-6-4-5-10-30-17)22-20(9-11-34(22)33-23)19-7-2-3-8-21(19)25(26,27)28;1-2-35-25-21(36(26,33)34)14-18(15-29-25)23-30-24(28-16-19-10-6-7-12-27-19)22-20(11-13-32(22)31-23)17-8-4-3-5-9-17;1-34(32,33)18-12-16(13-26-15-18)23-29-24(28-14-17-6-4-5-10-27-17)22-20(9-11-31(22)30-23)19-7-2-3-8-21(19)25/h2-13,15H,14H2,1H3,(H,31,32,33);3-15H,2,16H2,1H3,(H2,26,33,34)(H,28,30,31);2-13,15H,14H2,1H3,(H,28,29,30)
• InChIKey: KCNVQFFUHRBHKK-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 341.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1517.08
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 159094924) is 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCOc1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cc1S(N)(=O)=O.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4C(F)(F)F)ccn3n2)c1.CS(=O)(=O)c1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4Cl)ccn3n2)c1.

What is the InChIKey of 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is KCNVQFFUHRBHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2S.C25H23N7O3S.C24H19ClN6O2S/c1-37(35,36)18-12-16(13-29-15-18)23-32-24(31-14-17-6-4-5-10-30-17)22-20(9-11-34(22)33-23)19-7-2-3-8-21(19)25(26,27)28;1-2-35-25-21(36(26,33)34)14-18(15-29-25)23-30-24(28-16-19-10-6-7-12-27-19)22-20(11-13-32(22)31-23)17-8-4-3-5-9-17;1-34(32,33)18-12-16(13-26-15-18)23-29-24(28-14-17-6-4-5-10-27-17)22-20(9-11-31(22)30-23)19-7-2-3-8-21(19)25/h2-13,15H,14H2,1H3,(H,31,32,33);3-15H,2,16H2,1H3,(H2,26,33,34)(H,28,30,31);2-13,15H,14H2,1H3,(H,28,29,30).

What are the key properties of 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?

5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1517.08 g/mol, XLogP of 12.92, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-ethoxy-5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide;2-(5-methylsulfonyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 159094924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).