bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine

C87H76F4N26O8 — CID 159289762

About bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine

bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine (PubChem CID 159289762) has the molecular formula C87H76F4N26O8 and a molecular weight of 1689.73 g/mol. Its IUPAC name is bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine.

Molecular Properties

• Compound Name: bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine
• PubChem CID: 159289762
• Molecular Formula: C87H76F4N26O8
• Molecular Weight: 1689.73 g/mol
• Exact Mass: 1688.63
• IUPAC Name: bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine
• SMILES: Cc1cnccc1N.Cc1cnccc1Nc1nc(-c2ccc(F)c(C)n2)nn2cccc12.Cc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)c3cccn3n2)ccc1F.Cc1nc(-c2nc(Nc3ccncc3OC=O)c3cccn3n2)ccc1F.Cc1nc(-c2nc(Oc3ccccc3)c3cccn3n2)ccc1F.O=C=O.O=C=O
• InChI: InChI=1S/C25H27FN8O.C18H13FN6O2.C18H15FN6.C18H13FN4O.C6H8N2.2CO2/c1-17-19(26)7-8-21(29-17)23-31-24(22-6-5-14-34(22)32-23)30-20-9-10-27-16-18(20)25(35)28-11-15-33-12-3-2-4-13-33;1-11-12(19)4-5-14(21-11)17-23-18(15-3-2-8-25(15)24-17)22-13-6-7-20-9-16(13)27-10-26;1-11-10-20-8-7-14(11)22-18-16-4-3-9-25(16)24-17(23-18)15-6-5-13(19)12(2)21-15;1-12-14(19)9-10-15(20-12)17-21-18(16-8-5-11-23(16)22-17)24-13-6-3-2-4-7-13;1-5-4-8-3-2-6(5)7;2*2-1-3/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,28,35)(H,27,30,31,32);2-10H,1H3,(H,20,22,23,24);3-10H,1-2H3,(H,20,22,23,24);2-11H,1H3;2-4H,1H3,(H2,7,8)
• InChIKey: KZYSFDCFEHXIIQ-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 422.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.73
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine?

The IUPAC name of bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine (CID 159289762) is bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine.

What is the SMILES notation for bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine?

The canonical SMILES for bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine is Cc1cnccc1N.Cc1cnccc1Nc1nc(-c2ccc(F)c(C)n2)nn2cccc12.Cc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)c3cccn3n2)ccc1F.Cc1nc(-c2nc(Nc3ccncc3OC=O)c3cccn3n2)ccc1F.Cc1nc(-c2nc(Oc3ccccc3)c3cccn3n2)ccc1F.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine?

The InChIKey is KZYSFDCFEHXIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O.C18H13FN6O2.C18H15FN6.C18H13FN4O.C6H8N2.2CO2/c1-17-19(26)7-8-21(29-17)23-31-24(22-6-5-14-34(22)32-23)30-20-9-10-27-16-18(20)25(35)28-11-15-33-12-3-2-4-13-33;1-11-12(19)4-5-14(21-11)17-23-18(15-3-2-8-25(15)24-17)22-13-6-7-20-9-16(13)27-10-26;1-11-10-20-8-7-14(11)22-18-16-4-3-9-25(16)24-17(23-18)15-6-5-13(19)12(2)21-15;1-12-14(19)9-10-15(20-12)17-21-18(16-8-5-11-23(16)22-17)24-13-6-3-2-4-7-13;1-5-4-8-3-2-6(5)7;2*2-1-3/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,28,35)(H,27,30,31,32);2-10H,1H3,(H,20,22,23,24);3-10H,1-2H3,(H,20,22,23,24);2-11H,1H3;2-4H,1H3,(H2,7,8);;.

What are the key properties of bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine?

bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine has a molecular weight of 1689.73 g/mol, XLogP of 14.03, 18 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);2-(5-fluoro-6-methyl-2-pyridinyl)-N-(3-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(5-fluoro-6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;[4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl] formate;3-methylpyridin-4-amine is sourced from PubChem (CID 159289762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).