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

C23H22FN5O — CID 156857303

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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Related Compounds

3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
CID 69017746
(E)-3-[4-amino-7-cyclopentyl-5-(2-fluoro-4-phenoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]prop-2-enoic acid
CID 66612229
3-[4-amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]pyrrolidine-1-carbonitrile
CID 118861491
2-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)-3-(methylamino)imidazole-4-carboximidamide
CID 166755543
7-cyclohexyl-5-(6-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 135802779
carbamoyl 4-[4-amino-5-(2-phenoxyquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 90731949
7-(3-aminocyclopentyl)-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11711067
3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 143899191
(Z)-1-[(3R)-3-[8-amino-1-(2-fluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-isocyano-3-(4-methyloxan-4-yl)prop-2-en-1-one
CID 140930518
7-[3-(azetidin-1-ylmethyl)cyclopentyl]-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11669672
3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 141348836
[3-[4-amino-5-(3-phenylmethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclopentyl]methanol
CID 11640272

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).