[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

C24H24N8O — CID 122349598

About [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 122349598) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

• Compound Name: [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
• PubChem CID: 122349598
• Molecular Formula: C24H24N8O
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.21
• IUPAC Name: [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
• SMILES: Cc1ccnc(Nc2cc(N3CCN(C(=O)c4cccc(-n5cccn5)c4)CC3)ncn2)c1
• InChI: InChI=1S/C24H24N8O/c1-18-6-8-25-21(14-18)29-22-16-23(27-17-26-22)30-10-12-31(13-11-30)24(33)19-4-2-5-20(15-19)32-9-3-7-28-32/h2-9,14-17H,10-13H2,1H3,(H,25,26,27,29)
• InChIKey: CQMHOMJNDVYONO-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?

The IUPAC name of [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 122349598) is [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

What is the SMILES notation for [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?

The canonical SMILES for [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is Cc1ccnc(Nc2cc(N3CCN(C(=O)c4cccc(-n5cccn5)c4)CC3)ncn2)c1.

What is the InChIKey of [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?

The InChIKey is CQMHOMJNDVYONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-18-6-8-25-21(14-18)29-22-16-23(27-17-26-22)30-10-12-31(13-11-30)24(33)19-4-2-5-20(15-19)32-9-3-7-28-32/h2-9,14-17H,10-13H2,1H3,(H,25,26,27,29).

What are the key properties of [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?

[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 440.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 122349598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).