N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide

C17H14FN7O2S — CID 135262442

IUPACN-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H14FN7O2S/c1-28(26,27)24-15-6-2-4-13(20-15)16-22-17(14-5-3-9-25(14)23-16)21-12-7-8-19-10-11(12)18/h2-10H,1H3,(H,20,24)(H,19,21,22,23)
InChIKeyOXEQWIKVVVGLAW-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.44
Rot. Bonds5

About N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide

N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 135262442) has the molecular formula C17H14FN7O2S and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide
PubChem CID135262442
Molecular FormulaC17H14FN7O2S
Molecular Weight399.41 g/mol
Exact Mass399.09
IUPAC NameN-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H14FN7O2S/c1-28(26,27)24-15-6-2-4-13(20-15)16-22-17(14-5-3-9-25(14)23-16)21-12-7-8-19-10-11(12)18/h2-10H,1H3,(H,20,24)(H,19,21,22,23)
InChIKeyOXEQWIKVVVGLAW-UHFFFAOYSA-N
XLogP2.44
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide 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 N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide (CID 135262442) is N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1.
What is the InChIKey of N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is OXEQWIKVVVGLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O2S/c1-28(26,27)24-15-6-2-4-13(20-15)16-22-17(14-5-3-9-25(14)23-16)21-12-7-8-19-10-11(12)18/h2-10H,1H3,(H,20,24)(H,19,21,22,23).
What are the key properties of N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 399.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 135262442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).