5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone

C115H103F3N22O5 — CID 159174977

About 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone

5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone (PubChem CID 159174977) has the molecular formula C115H103F3N22O5 and a molecular weight of 1930.23 g/mol. Its IUPAC name is 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone
• PubChem CID: 159174977
• Molecular Formula: C115H103F3N22O5
• Molecular Weight: 1930.23 g/mol
• Exact Mass: 1928.84
• IUPAC Name: 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone
• SMILES: C=C(CCNC(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)c1)OCC.CC(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1.CC1(C)CCC(CNC(=O)c2cncc(-c3nc(NCc4ccccc4)c4c(-c5ccccc5)ccn4n3)c2)O1.Cc1cncc(-c2nc(NC(c3ccccc3)C(F)(F)F)c3c(-c4ccccc4)ccn3n2)c1
• InChI: InChI=1S/C32H32N6O2.C31H30N6O2.C26H20F3N5.C26H21N5O/c1-32(2)15-13-26(40-32)21-35-31(39)25-17-24(19-33-20-25)29-36-30(34-18-22-9-5-3-6-10-22)28-27(14-16-38(28)37-29)23-11-7-4-8-12-23;1-3-39-22(2)14-16-33-31(38)26-18-25(20-32-21-26)29-35-30(34-19-23-10-6-4-7-11-23)28-27(15-17-37(28)36-29)24-12-8-5-9-13-24;1-17-14-20(16-30-15-17)24-32-25(31-23(26(27,28)29)19-10-6-3-7-11-19)22-21(12-13-34(22)33-24)18-8-4-2-5-9-18;1-18(32)20-10-7-11-21(16-20)25-29-26(28-17-22-12-5-6-14-27-22)24-23(13-15-31(24)30-25)19-8-3-2-4-9-19/h3-12,14,16-17,19-20,26H,13,15,18,21H2,1-2H3,(H,35,39)(H,34,36,37);4-13,15,17-18,20-21H,2-3,14,16,19H2,1H3,(H,33,38)(H,34,35,36);2-16,23H,1H3,(H,31,32,33);2-16H,17H2,1H3,(H,28,29,30)
• InChIKey: KMDWCUDWSSJQNA-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 314.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1930.23
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone?

The IUPAC name of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone (CID 159174977) is 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone.

What is the SMILES notation for 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone?

The canonical SMILES for 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone is C=C(CCNC(=O)c1cncc(-c2nc(NCc3ccccc3)c3c(-c4ccccc4)ccn3n2)c1)OCC.CC(=O)c1cccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)c1.CC1(C)CCC(CNC(=O)c2cncc(-c3nc(NCc4ccccc4)c4c(-c5ccccc5)ccn4n3)c2)O1.Cc1cncc(-c2nc(NC(c3ccccc3)C(F)(F)F)c3c(-c4ccccc4)ccn3n2)c1.

What is the InChIKey of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone?

The InChIKey is KMDWCUDWSSJQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2.C31H30N6O2.C26H20F3N5.C26H21N5O/c1-32(2)15-13-26(40-32)21-35-31(39)25-17-24(19-33-20-25)29-36-30(34-18-22-9-5-3-6-10-22)28-27(14-16-38(28)37-29)23-11-7-4-8-12-23;1-3-39-22(2)14-16-33-31(38)26-18-25(20-32-21-26)29-35-30(34-19-23-10-6-4-7-11-23)28-27(15-17-37(28)36-29)24-12-8-5-9-13-24;1-17-14-20(16-30-15-17)24-32-25(31-23(26(27,28)29)19-10-6-3-7-11-19)22-21(12-13-34(22)33-24)18-8-4-2-5-9-18;1-18(32)20-10-7-11-21(16-20)25-29-26(28-17-22-12-5-6-14-27-22)24-23(13-15-31(24)30-25)19-8-3-2-4-9-19/h3-12,14,16-17,19-20,26H,13,15,18,21H2,1-2H3,(H,35,39)(H,34,36,37);4-13,15,17-18,20-21H,2-3,14,16,19H2,1H3,(H,33,38)(H,34,35,36);2-16,23H,1H3,(H,31,32,33);2-16H,17H2,1H3,(H,28,29,30).

What are the key properties of 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone?

5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone has a molecular weight of 1930.23 g/mol, XLogP of 23.25, 30 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[(5,5-dimethyloxolan-2-yl)methyl]pyridine-3-carboxamide;5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(3-ethoxybut-3-enyl)pyridine-3-carboxamide;2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]ethanone is sourced from PubChem (CID 159174977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).