1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine

C118H118BCl2F2N27O14 — CID 158176170

About 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine

1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 158176170) has the molecular formula C118H118BCl2F2N27O14 and a molecular weight of 2258.13 g/mol. Its IUPAC name is 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

• Compound Name: 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine
• PubChem CID: 158176170
• Molecular Formula: C118H118BCl2F2N27O14
• Molecular Weight: 2258.13 g/mol
• Exact Mass: 2255.88
• IUPAC Name: 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine
• SMILES: COc1cccc(-c2nc(Nc3ccncc3F)c3c(OCCN4CCCC4)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(B4OC(C)(C)C(C)(C)O4)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(Cl)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(O)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(OCCN4CCCC4)ccn3n2)n1.ClCCN1CCCC1.Nc1ccncc1F
• InChI: InChI=1S/C24H25BN4O4.C24H25N5O3.C23H24FN7O2.C18H13ClN4O2.C18H14N4O3.C6H12ClN.C5H5FN2/c1-23(2)24(3,4)33-25(32-23)17-14-15-29-20(17)22(31-16-10-7-6-8-11-16)27-21(28-29)18-12-9-13-19(26-18)30-5;1-30-21-11-7-10-19(25-21)23-26-24(32-18-8-3-2-4-9-18)22-20(12-15-29(22)27-23)31-17-16-28-13-5-6-14-28;1-32-20-6-4-5-18(26-20)22-28-23(27-17-7-9-25-15-16(17)24)21-19(8-12-31(21)29-22)33-14-13-30-10-2-3-11-30;1-24-15-9-5-8-14(20-15)17-21-18(25-12-6-3-2-4-7-12)16-13(19)10-11-23(16)22-17;1-24-15-9-5-8-13(19-15)17-20-18(25-12-6-3-2-4-7-12)16-14(23)10-11-22(16)21-17;7-3-6-8-4-1-2-5-8;6-4-3-8-2-1-5(4)7/h6-15H,1-5H3;2-4,7-12,15H,5-6,13-14,16-17H2,1H3;4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,25,27,28,29);2-11H,1H3;2-11,23H,1H3;1-6H2;1-3H,(H2,7,8)
• InChIKey: FYAHLISIKQHIJJ-UHFFFAOYSA-N
• XLogP: 21.18
• TPSA: 429.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.13
LogP ≤ 5	21.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine?

The IUPAC name of 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine (CID 158176170) is 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine.

What is the SMILES notation for 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine?

The canonical SMILES for 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine is COc1cccc(-c2nc(Nc3ccncc3F)c3c(OCCN4CCCC4)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(B4OC(C)(C)C(C)(C)O4)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(Cl)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(O)ccn3n2)n1.COc1cccc(-c2nc(Oc3ccccc3)c3c(OCCN4CCCC4)ccn3n2)n1.ClCCN1CCCC1.Nc1ccncc1F.

What is the InChIKey of 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine?

The InChIKey is FYAHLISIKQHIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BN4O4.C24H25N5O3.C23H24FN7O2.C18H13ClN4O2.C18H14N4O3.C6H12ClN.C5H5FN2/c1-23(2)24(3,4)33-25(32-23)17-14-15-29-20(17)22(31-16-10-7-6-8-11-16)27-21(28-29)18-12-9-13-19(26-18)30-5;1-30-21-11-7-10-19(25-21)23-26-24(32-18-8-3-2-4-9-18)22-20(12-15-29(22)27-23)31-17-16-28-13-5-6-14-28;1-32-20-6-4-5-18(26-20)22-28-23(27-17-7-9-25-15-16(17)24)21-19(8-12-31(21)29-22)33-14-13-30-10-2-3-11-30;1-24-15-9-5-8-14(20-15)17-21-18(25-12-6-3-2-4-7-12)16-13(19)10-11-23(16)22-17;1-24-15-9-5-8-13(19-15)17-20-18(25-12-6-3-2-4-7-12)16-14(23)10-11-22(16)21-17;7-3-6-8-4-1-2-5-8;6-4-3-8-2-1-5(4)7/h6-15H,1-5H3;2-4,7-12,15H,5-6,13-14,16-17H2,1H3;4-9,12,15H,2-3,10-11,13-14H2,1H3,(H,25,27,28,29);2-11H,1H3;2-11,23H,1H3;1-6H2;1-3H,(H2,7,8).

What are the key properties of 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine?

1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 2258.13 g/mol, XLogP of 21.18, 31 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloroethyl)pyrrolidine;5-chloro-2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(2-pyrrolidin-1-ylethoxy)pyrrolo[2,1-f][1,2,4]triazine;2-(6-methoxy-2-pyridinyl)-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-5-ol;2-(6-methoxy-2-pyridinyl)-4-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 158176170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).