methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one

C97H93N21O7S2 — CID 158699248

About methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one

methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one (PubChem CID 158699248) has the molecular formula C97H93N21O7S2 and a molecular weight of 1729.08 g/mol. Its IUPAC name is methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one.

Molecular Properties

• Compound Name: methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one
• PubChem CID: 158699248
• Molecular Formula: C97H93N21O7S2
• Molecular Weight: 1729.08 g/mol
• Exact Mass: 1727.70
• IUPAC Name: methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one
• SMILES: CC(=O)CC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1.COC(=O)CC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1.CS(=O)(=O)CC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1.CS(=O)(=O)CCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1
• InChI: InChI=1S/C26H24N6O2S.C24H23N5O2.C24H23N5O.C23H23N5O2S/c1-35(33,34)14-11-19-15-21(17-27-16-19)25-30-26(29-18-22-9-5-6-12-28-22)24-23(10-13-32(24)31-25)20-7-3-2-4-8-20;1-31-20(30)15-24(11-12-24)23-27-22(26-16-18-9-5-6-13-25-18)21-19(10-14-29(21)28-23)17-7-3-2-4-8-17;1-17(30)15-24(11-12-24)23-27-22(26-16-19-9-5-6-13-25-19)21-20(10-14-29(21)28-23)18-7-3-2-4-8-18;1-31(29,30)16-23(11-12-23)22-26-21(25-15-18-9-5-6-13-24-18)20-19(10-14-28(20)27-22)17-7-3-2-4-8-17/h2-10,12-13,15-17H,11,14,18H2,1H3,(H,29,30,31);2-10,13-14H,11-12,15-16H2,1H3,(H,26,27,28);2-10,13-14H,11-12,15-16H2,1H3,(H,26,27,28);2-10,13-14H,11-12,15-16H2,1H3,(H,25,26,27)
• InChIKey: IHICWLXVKYQLSS-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 344.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.08
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one?

The IUPAC name of methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one (CID 158699248) is methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one.

What is the SMILES notation for methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one?

The canonical SMILES for methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one is CC(=O)CC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1.COC(=O)CC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1.CS(=O)(=O)CC1(c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)CC1.CS(=O)(=O)CCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1.

What is the InChIKey of methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one?

The InChIKey is IHICWLXVKYQLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S.C24H23N5O2.C24H23N5O.C23H23N5O2S/c1-35(33,34)14-11-19-15-21(17-27-16-19)25-30-26(29-18-22-9-5-6-12-28-22)24-23(10-13-32(24)31-25)20-7-3-2-4-8-20;1-31-20(30)15-24(11-12-24)23-27-22(26-16-18-9-5-6-13-25-18)21-19(10-14-29(21)28-23)17-7-3-2-4-8-17;1-17(30)15-24(11-12-24)23-27-22(26-16-19-9-5-6-13-25-19)21-20(10-14-29(21)28-23)18-7-3-2-4-8-18;1-31(29,30)16-23(11-12-23)22-26-21(25-15-18-9-5-6-13-24-18)20-19(10-14-28(20)27-22)17-7-3-2-4-8-17/h2-10,12-13,15-17H,11,14,18H2,1H3,(H,29,30,31);2-10,13-14H,11-12,15-16H2,1H3,(H,26,27,28);2-10,13-14H,11-12,15-16H2,1H3,(H,26,27,28);2-10,13-14H,11-12,15-16H2,1H3,(H,25,26,27).

What are the key properties of methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one?

methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one has a molecular weight of 1729.08 g/mol, XLogP of 15.94, 29 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]acetate;2-[5-(2-methylsulfonylethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[1-(methylsulfonylmethyl)cyclopropyl]-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[1-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]cyclopropyl]propan-2-one is sourced from PubChem (CID 158699248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).