7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H12F2N6O — CID 135262336

IUPAC7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3ccc(F)n3n2)n1
InChIInChI=1S/C17H12F2N6O/c1-26-15-4-2-3-12(21-15)16-23-17(13-5-6-14(19)25(13)24-16)22-11-7-8-20-9-10(11)18/h2-9H,1H3,(H,20,22,23,24)
InChIKeyWKRHHRMFJTZRDD-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.22
Rot. Bonds4

About 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 135262336) has the molecular formula C17H12F2N6O and a molecular weight of 354.32 g/mol. Its IUPAC name is 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID135262336
Molecular FormulaC17H12F2N6O
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cccc(-c2nc(Nc3ccncc3F)c3ccc(F)n3n2)n1
InChIInChI=1S/C17H12F2N6O/c1-26-15-4-2-3-12(21-15)16-23-17(13-5-6-14(19)25(13)24-16)22-11-7-8-20-9-10(11)18/h2-9H,1H3,(H,20,22,23,24)
InChIKeyWKRHHRMFJTZRDD-UHFFFAOYSA-N
XLogP3.22
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 135262336) is 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cccc(-c2nc(Nc3ccncc3F)c3ccc(F)n3n2)n1.
What is the InChIKey of 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is WKRHHRMFJTZRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O/c1-26-15-4-2-3-12(21-15)16-23-17(13-5-6-14(19)25(13)24-16)22-11-7-8-20-9-10(11)18/h2-9H,1H3,(H,20,22,23,24).
What are the key properties of 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 354.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135262336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).