[4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C22H27N7O — CID 122337494

About [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122337494) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 122337494
• Molecular Formula: C22H27N7O
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.23
• IUPAC Name: [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)ncn2)n1
• InChI: InChI=1S/C22H27N7O/c1-16-13-17(2)29(25-16)21-14-20(23-15-24-21)27-9-11-28(12-10-27)22(30)18-5-7-19(8-6-18)26(3)4/h5-8,13-15H,9-12H2,1-4H3
• InChIKey: USJJNEAZCYNDOM-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 70.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122337494) is [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)ncn2)n1.

What is the InChIKey of [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is USJJNEAZCYNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-16-13-17(2)29(25-16)21-14-20(23-15-24-21)27-9-11-28(12-10-27)22(30)18-5-7-19(8-6-18)26(3)4/h5-8,13-15H,9-12H2,1-4H3.

What are the key properties of [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?

[4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 405.51 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)phenyl]-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122337494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).