Skip to content

3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile

C25H19N7 — CID 144706501

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile
SMILESCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4cccc(C#N)c4)ccn3n2)c1
InChIInChI=1S/C25H19N7/c1-17-11-20(15-27-14-17)24-30-25(29-16-21-7-2-3-9-28-21)23-22(8-10-32(23)31-24)19-6-4-5-18(12-19)13-26/h2-12,14-15H,16H2,1H3,(H,29,30,31)
InChIKeyXMYYIDOLEUQKFF-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.65
Rot. Bonds5

About 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile

3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile (PubChem CID 144706501) has the molecular formula C25H19N7 and a molecular weight of 417.48 g/mol. Its IUPAC name is 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile
PubChem CID144706501
Molecular FormulaC25H19N7
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile
SMILESCc1cncc(-c2nc(NCc3ccccn3)c3c(-c4cccc(C#N)c4)ccn3n2)c1
InChIInChI=1S/C25H19N7/c1-17-11-20(15-27-14-17)24-30-25(29-16-21-7-2-3-9-28-21)23-22(8-10-32(23)31-24)19-6-4-5-18(12-19)13-26/h2-12,14-15H,16H2,1H3,(H,29,30,31)
InChIKeyXMYYIDOLEUQKFF-UHFFFAOYSA-N
XLogP4.65
TPSA91.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile?
The IUPAC name of 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile (CID 144706501) is 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile.
What is the SMILES notation for 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile?
The canonical SMILES for 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile is Cc1cncc(-c2nc(NCc3ccccn3)c3c(-c4cccc(C#N)c4)ccn3n2)c1.
What is the InChIKey of 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile?
The InChIKey is XMYYIDOLEUQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7/c1-17-11-20(15-27-14-17)24-30-25(29-16-21-7-2-3-9-28-21)23-22(8-10-32(23)31-24)19-6-4-5-18(12-19)13-26/h2-12,14-15H,16H2,1H3,(H,29,30,31).
What are the key properties of 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile?
3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile has a molecular weight of 417.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]benzonitrile is sourced from PubChem (CID 144706501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.