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7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

C23H22FN5O — CID 156857303

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCCCC3)nc(-c3ccc(Oc4ccccc4)cc3F)c12
InChIInChI=1S/C23H22FN5O/c24-19-13-17(30-16-9-5-2-6-10-16)11-12-18(19)20-21-22(25)26-14-27-29(21)23(28-20)15-7-3-1-4-8-15/h2,5-6,9-15H,1,3-4,7-8H2,(H2,25,26,27)
InChIKeyXOCDKZXWPLULNZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.35
Rot. Bonds4

About 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine

7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 156857303) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID156857303
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCCCC3)nc(-c3ccc(Oc4ccccc4)cc3F)c12
InChIInChI=1S/C23H22FN5O/c24-19-13-17(30-16-9-5-2-6-10-16)11-12-18(19)20-21-22(25)26-14-27-29(21)23(28-20)15-7-3-1-4-8-15/h2,5-6,9-15H,1,3-4,7-8H2,(H2,25,26,27)
InChIKeyXOCDKZXWPLULNZ-UHFFFAOYSA-N
XLogP5.35
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 156857303) is 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CCCCC3)nc(-c3ccc(Oc4ccccc4)cc3F)c12.
What is the InChIKey of 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is XOCDKZXWPLULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-19-13-17(30-16-9-5-2-6-10-16)11-12-18(19)20-21-22(25)26-14-27-29(21)23(28-20)15-7-3-1-4-8-15/h2,5-6,9-15H,1,3-4,7-8H2,(H2,25,26,27).
What are the key properties of 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 403.46 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 156857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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