2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol

C76H67N23O6 — CID 158623333

About 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol

2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol (PubChem CID 158623333) has the molecular formula C76H67N23O6 and a molecular weight of 1398.53 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol
• PubChem CID: 158623333
• Molecular Formula: C76H67N23O6
• Molecular Weight: 1398.53 g/mol
• Exact Mass: 1397.56
• IUPAC Name: 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol
• SMILES: COc1cccc(-c2nc(Nc3ccncc3COCCCN3CCOCC3)c3cccn3n2)n1.O=Cc1cnccc1Nc1nc(-c2ccccn2)nn2cccc12.OCc1cnccc1Nc1nc(-c2ccccn2)nn2cccc12.c1ccc(Oc2nc(-c3ccccn3)nn3cccc23)cc1
• InChI: InChI=1S/C25H29N7O3.C17H14N6O.C17H12N6O.C17H12N4O/c1-33-23-7-2-5-21(27-23)24-29-25(22-6-3-11-32(22)30-24)28-20-8-9-26-17-19(20)18-35-14-4-10-31-12-15-34-16-13-31;2*24-11-12-10-18-8-6-13(12)20-17-15-5-3-9-23(15)22-16(21-17)14-4-1-2-7-19-14;1-2-7-13(8-3-1)22-17-15-10-6-12-21(15)20-16(19-17)14-9-4-5-11-18-14/h2-3,5-9,11,17H,4,10,12-16,18H2,1H3,(H,26,28,29,30);1-10,24H,11H2,(H,18,20,21,22);1-11H,(H,18,20,21,22);1-12H
• InChIKey: HYGSGRRFWXKTGS-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 324.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.53
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol?

The IUPAC name of 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol (CID 158623333) is 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol.

What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol?

The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol is COc1cccc(-c2nc(Nc3ccncc3COCCCN3CCOCC3)c3cccn3n2)n1.O=Cc1cnccc1Nc1nc(-c2ccccn2)nn2cccc12.OCc1cnccc1Nc1nc(-c2ccccn2)nn2cccc12.c1ccc(Oc2nc(-c3ccccn3)nn3cccc23)cc1.

What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol?

The InChIKey is HYGSGRRFWXKTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3.C17H14N6O.C17H12N6O.C17H12N4O/c1-33-23-7-2-5-21(27-23)24-29-25(22-6-3-11-32(22)30-24)28-20-8-9-26-17-19(20)18-35-14-4-10-31-12-15-34-16-13-31;2*24-11-12-10-18-8-6-13(12)20-17-15-5-3-9-23(15)22-16(21-17)14-4-1-2-7-19-14;1-2-7-13(8-3-1)22-17-15-10-6-12-21(15)20-16(19-17)14-9-4-5-11-18-14/h2-3,5-9,11,17H,4,10,12-16,18H2,1H3,(H,26,28,29,30);1-10,24H,11H2,(H,18,20,21,22);1-11H,(H,18,20,21,22);1-12H.

What are the key properties of 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol?

2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol has a molecular weight of 1398.53 g/mol, XLogP of 11.93, 21 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxymethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;4-phenoxy-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazine;4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]pyridine-3-carbaldehyde;[4-[(2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 158623333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).