N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C26H19FN8O — CID 126484280

IUPACN-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2ccccn2)nn2ccc(CNc3ccc(-c4cnco4)cc3)c12
InChIInChI=1S/C26H19FN8O/c27-20-14-28-11-8-21(20)32-26-24-18(9-12-35(24)34-25(33-26)22-3-1-2-10-30-22)13-31-19-6-4-17(5-7-19)23-15-29-16-36-23/h1-12,14-16,31H,13H2,(H,28,32,33,34)
InChIKeyAMDHKMMIWNNBCZ-UHFFFAOYSA-N
MW478.49 g/mol
LogP5.34
Rot. Bonds7

About N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484280) has the molecular formula C26H19FN8O and a molecular weight of 478.49 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484280
Molecular FormulaC26H19FN8O
Molecular Weight478.49 g/mol
Exact Mass478.17
IUPAC NameN-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1cnccc1Nc1nc(-c2ccccn2)nn2ccc(CNc3ccc(-c4cnco4)cc3)c12
InChIInChI=1S/C26H19FN8O/c27-20-14-28-11-8-21(20)32-26-24-18(9-12-35(24)34-25(33-26)22-3-1-2-10-30-22)13-31-19-6-4-17(5-7-19)23-15-29-16-36-23/h1-12,14-16,31H,13H2,(H,28,32,33,34)
InChIKeyAMDHKMMIWNNBCZ-UHFFFAOYSA-N
XLogP5.34
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.49
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484280) is N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1cnccc1Nc1nc(-c2ccccn2)nn2ccc(CNc3ccc(-c4cnco4)cc3)c12.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is AMDHKMMIWNNBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN8O/c27-20-14-28-11-8-21(20)32-26-24-18(9-12-35(24)34-25(33-26)22-3-1-2-10-30-22)13-31-19-6-4-17(5-7-19)23-15-29-16-36-23/h1-12,14-16,31H,13H2,(H,28,32,33,34).
What are the key properties of N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 478.49 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-5-[[4-(1,3-oxazol-5-yl)anilino]methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).