5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium

C86H79BrN29O7+ — CID 157370914

About 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium

5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium (PubChem CID 157370914) has the molecular formula C86H79BrN29O7+ and a molecular weight of 1710.68 g/mol. Its IUPAC name is 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium.

Molecular Properties

• Compound Name: 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium
• PubChem CID: 157370914
• Molecular Formula: C86H79BrN29O7+
• Molecular Weight: 1710.68 g/mol
• Exact Mass: 1708.59
• IUPAC Name: 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium
• SMILES: CC[N+](CC)(CC)Cc1ccn2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12.COC(=O)c1ccn2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12.Cc1cc(Nc2ncnn3ccc(Br)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnn3ccc(CO)c23)ccc1Oc1ccn2ncnc2c1
• InChI: InChI=1S/C26H31N8O.C21H17N7O3.C20H17N7O2.C19H14BrN7O/c1-5-34(6-2,7-3)16-20-10-12-33-25(20)26(28-18-30-33)31-21-8-9-23(19(4)14-21)35-22-11-13-32-24(15-22)27-17-29-32;1-13-9-14(3-4-17(13)31-15-5-7-27-18(10-15)22-11-24-27)26-20-19-16(21(29)30-2)6-8-28(19)25-12-23-20;1-13-8-15(25-20-19-14(10-28)4-6-27(19)24-12-22-20)2-3-17(13)29-16-5-7-26-18(9-16)21-11-23-26;1-12-8-13(25-19-18-15(20)5-7-27(18)24-11-22-19)2-3-16(12)28-14-4-6-26-17(9-14)21-10-23-26/h8-15,17-18H,5-7,16H2,1-4H3,(H,28,30,31);3-12H,1-2H3,(H,23,25,26);2-9,11-12,28H,10H2,1H3,(H,22,24,25);2-11H,1H3,(H,22,24,25)/q+1
• InChIKey: BJTDZSGFXIJHAT-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 373.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1710.68
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium?

The IUPAC name of 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium (CID 157370914) is 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium.

What is the SMILES notation for 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium?

The canonical SMILES for 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium is CC[N+](CC)(CC)Cc1ccn2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12.COC(=O)c1ccn2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c12.Cc1cc(Nc2ncnn3ccc(Br)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnn3ccc(CO)c23)ccc1Oc1ccn2ncnc2c1.

What is the InChIKey of 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium?

The InChIKey is BJTDZSGFXIJHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N8O.C21H17N7O3.C20H17N7O2.C19H14BrN7O/c1-5-34(6-2,7-3)16-20-10-12-33-25(20)26(28-18-30-33)31-21-8-9-23(19(4)14-21)35-22-11-13-32-24(15-22)27-17-29-32;1-13-9-14(3-4-17(13)31-15-5-7-27-18(10-15)22-11-24-27)26-20-19-16(21(29)30-2)6-8-28(19)25-12-23-20;1-13-8-15(25-20-19-14(10-28)4-6-27(19)24-12-22-20)2-3-17(13)29-16-5-7-26-18(9-16)21-11-23-26;1-12-8-13(25-19-18-15(20)5-7-27(18)24-11-22-19)2-3-16(12)28-14-4-6-26-17(9-14)21-10-23-26/h8-15,17-18H,5-7,16H2,1-4H3,(H,28,30,31);3-12H,1-2H3,(H,23,25,26);2-9,11-12,28H,10H2,1H3,(H,22,24,25);2-11H,1H3,(H,22,24,25)/q+1;;;.

What are the key properties of 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium?

5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium has a molecular weight of 1710.68 g/mol, XLogP of 15.88, 23 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl 4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazine-5-carboxylate;[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;triethyl-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]azanium is sourced from PubChem (CID 157370914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).