5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile

C23H17N9 — CID 78321150

IUPAC5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccn3nc(-c4cncc(N)c4)nc(NCc4ccccn4)c23)c1
InChIInChI=1S/C23H17N9/c24-9-15-7-16(11-26-10-15)20-4-6-32-21(20)23(29-14-19-3-1-2-5-28-19)30-22(31-32)17-8-18(25)13-27-12-17/h1-8,10-13H,14,25H2,(H,29,30,31)
InChIKeyDMFVPJVHGBJWPQ-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.31
Rot. Bonds5

About 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile

5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile (PubChem CID 78321150) has the molecular formula C23H17N9 and a molecular weight of 419.45 g/mol. Its IUPAC name is 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile
PubChem CID78321150
Molecular FormulaC23H17N9
Molecular Weight419.45 g/mol
Exact Mass419.16
IUPAC Name5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccn3nc(-c4cncc(N)c4)nc(NCc4ccccn4)c23)c1
InChIInChI=1S/C23H17N9/c24-9-15-7-16(11-26-10-15)20-4-6-32-21(20)23(29-14-19-3-1-2-5-28-19)30-22(31-32)17-8-18(25)13-27-12-17/h1-8,10-13H,14,25H2,(H,29,30,31)
InChIKeyDMFVPJVHGBJWPQ-UHFFFAOYSA-N
XLogP3.31
TPSA130.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile 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 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile (CID 78321150) is 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccn3nc(-c4cncc(N)c4)nc(NCc4ccccn4)c23)c1.
What is the InChIKey of 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile?
The InChIKey is DMFVPJVHGBJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N9/c24-9-15-7-16(11-26-10-15)20-4-6-32-21(20)23(29-14-19-3-1-2-5-28-19)30-22(31-32)17-8-18(25)13-27-12-17/h1-8,10-13H,14,25H2,(H,29,30,31).
What are the key properties of 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile?
5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile has a molecular weight of 419.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78321150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).