[2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol

C24H23FN6O3 — CID 22255516

About [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol

[2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol (PubChem CID 22255516) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol.

Molecular Properties

• Compound Name: [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
• PubChem CID: 22255516
• Molecular Formula: C24H23FN6O3
• Molecular Weight: 462.49 g/mol
• Exact Mass: 462.18
• IUPAC Name: [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
• SMILES: CC1(CO)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccncc4)n3)[nH]2)OC1
• InChI: InChI=1S/C24H23FN6O3/c1-24(12-32)13-33-22(34-14-24)21-30-19(15-2-4-16(25)5-3-15)20(31-21)18-8-11-27-23(29-18)28-17-6-9-26-10-7-17/h2-11,22,32H,12-14H2,1H3,(H,30,31)(H,26,27,28,29)
• InChIKey: KAGDSVBECWFPTD-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 118.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.49
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol?

The IUPAC name of [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) is [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol.

What is the SMILES notation for [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol?

The canonical SMILES for [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol is CC1(CO)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccncc4)n3)[nH]2)OC1.

What is the InChIKey of [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol?

The InChIKey is KAGDSVBECWFPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-24(12-32)13-33-22(34-14-24)21-30-19(15-2-4-16(25)5-3-15)20(31-21)18-8-11-27-23(29-18)28-17-6-9-26-10-7-17/h2-11,22,32H,12-14H2,1H3,(H,30,31)(H,26,27,28,29).

What are the key properties of [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol?

[2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol has a molecular weight of 462.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 22255516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).