N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C18H15FN6O — CID 126499689

IUPACN-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccnc(F)c3)c3c(C)ccn3n2)n1
InChIInChI=1S/C18H15FN6O/c1-11-7-9-25-16(11)18(21-12-6-8-20-14(19)10-12)23-17(24-25)13-4-3-5-15(22-13)26-2/h3-10H,1-2H3,(H,20,21,23,24)
InChIKeyQOKZYTHZKHRIGT-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.39
Rot. Bonds4

About N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499689) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499689
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC NameN-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccnc(F)c3)c3c(C)ccn3n2)n1
InChIInChI=1S/C18H15FN6O/c1-11-7-9-25-16(11)18(21-12-6-8-20-14(19)10-12)23-17(24-25)13-4-3-5-15(22-13)26-2/h3-10H,1-2H3,(H,20,21,23,24)
InChIKeyQOKZYTHZKHRIGT-UHFFFAOYSA-N
XLogP3.39
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine 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-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499689) is N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccnc(F)c3)c3c(C)ccn3n2)n1.
What is the InChIKey of N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is QOKZYTHZKHRIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-11-7-9-25-16(11)18(21-12-6-8-20-14(19)10-12)23-17(24-25)13-4-3-5-15(22-13)26-2/h3-10H,1-2H3,(H,20,21,23,24).
What are the key properties of N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 350.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).