4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine

C23H19FN6O2 — CID 22254862

IUPAC4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine
SMILESC=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4cccnc4)n3)[nH]2)OC1
InChIInChI=1S/C23H19FN6O2/c1-14-12-31-22(32-13-14)21-29-19(15-4-6-16(24)7-5-15)20(30-21)18-8-10-26-23(28-18)27-17-3-2-9-25-11-17/h2-11,22H,1,12-13H2,(H,29,30)(H,26,27,28)
InChIKeyZYSISODYFJEOII-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.41
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine (PubChem CID 22254862) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine
PubChem CID22254862
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine
SMILESC=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4cccnc4)n3)[nH]2)OC1
InChIInChI=1S/C23H19FN6O2/c1-14-12-31-22(32-13-14)21-29-19(15-4-6-16(24)7-5-15)20(30-21)18-8-10-26-23(28-18)27-17-3-2-9-25-11-17/h2-11,22H,1,12-13H2,(H,29,30)(H,26,27,28)
InChIKeyZYSISODYFJEOII-UHFFFAOYSA-N
XLogP4.41
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid
CID 22255445
N-[4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 22254668
N-[3-(4,5-dihydroimidazol-1-yl)propyl]-4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 54242439
[2-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
CID 22254941
[2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
CID 22255516
2-[4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]oxypropan-1-ol
CID 142644906
4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
CID 22255598
carbamoyl 2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate
CID 56983305
N,N-dimethylformamide;2-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid
CID 175256860
N'-[4-[2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 22254834
N-cyclohexyl-2-[4-(4-fluorophenyl)-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxamide
CID 54287452
N-(cyclopropylmethyl)-2-[4-(4-fluorophenyl)-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxamide
CID 54486514

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine (CID 22254862) is 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine is C=C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4cccnc4)n3)[nH]2)OC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is ZYSISODYFJEOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-14-12-31-22(32-13-14)21-29-19(15-4-6-16(24)7-5-15)20(30-21)18-8-10-26-23(28-18)27-17-3-2-9-25-11-17/h2-11,22H,1,12-13H2,(H,29,30)(H,26,27,28).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 430.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(5-methylidene-1,3-dioxan-2-yl)-1H-imidazol-5-yl]-N-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 22254862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).