[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

C24H23FN8O — CID 122349110

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122349110) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 122349110
• Molecular Formula: C24H23FN8O
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.20
• IUPAC Name: [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
• InChI: InChI=1S/C24H23FN8O/c1-31-20(14-19(30-31)17-5-7-18(25)8-6-17)24(34)33-12-10-32(11-13-33)23-15-22(27-16-28-23)29-21-4-2-3-9-26-21/h2-9,14-16H,10-13H2,1H3,(H,26,27,28,29)
• InChIKey: KZYNQGIUNMNAGB-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.50
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122349110) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.

What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is KZYNQGIUNMNAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-31-20(14-19(30-31)17-5-7-18(25)8-6-17)24(34)33-12-10-32(11-13-33)23-15-22(27-16-28-23)29-21-4-2-3-9-26-21/h2-9,14-16H,10-13H2,1H3,(H,26,27,28,29).

What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 458.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122349110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).