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

C18H14FN7O — CID 126484377

IUPACN-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(F)n3)nn3cccc23)ccn1
InChIInChI=1S/C18H14FN7O/c1-11(27)21-16-10-12(7-8-20-16)22-18-14-5-3-9-26(14)25-17(24-18)13-4-2-6-15(19)23-13/h2-10H,1H3,(H2,20,21,22,24,25,27)
InChIKeyGBOJIFPLPDQYNY-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.03
Rot. Bonds4

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

N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 126484377) has the molecular formula C18H14FN7O and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID126484377
Molecular FormulaC18H14FN7O
Molecular Weight363.36 g/mol
Exact Mass363.12
IUPAC NameN-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3cccc(F)n3)nn3cccc23)ccn1
InChIInChI=1S/C18H14FN7O/c1-11(27)21-16-10-12(7-8-20-16)22-18-14-5-3-9-26(14)25-17(24-18)13-4-2-6-15(19)23-13/h2-10H,1H3,(H2,20,21,22,24,25,27)
InChIKeyGBOJIFPLPDQYNY-UHFFFAOYSA-N
XLogP3.03
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide 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-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 126484377) is N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3cccc(F)n3)nn3cccc23)ccn1.
What is the InChIKey of N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is GBOJIFPLPDQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O/c1-11(27)21-16-10-12(7-8-20-16)22-18-14-5-3-9-26(14)25-17(24-18)13-4-2-6-15(19)23-13/h2-10H,1H3,(H2,20,21,22,24,25,27).
What are the key properties of N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 363.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(6-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 126484377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).