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

C25H26N8O — CID 122350426

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

[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 122350426) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

• Compound Name: [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
• PubChem CID: 122350426
• Molecular Formula: C25H26N8O
• Molecular Weight: 454.54 g/mol
• Exact Mass: 454.22
• IUPAC Name: [4-[2-methyl-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)nc(C)n2)c1
• InChI: InChI=1S/C25H26N8O/c1-18-7-9-26-22(15-18)30-23-17-24(29-19(2)28-23)31-11-13-32(14-12-31)25(34)20-5-3-6-21(16-20)33-10-4-8-27-33/h3-10,15-17H,11-14H2,1-2H3,(H,26,28,29,30)
• InChIKey: NQCZODXVWIAIOJ-UHFFFAOYSA-N
• XLogP: 3.38
• 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	454.54
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 122350426) is [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

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

The canonical SMILES for [4-[2-methyl-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)nc(C)n2)c1.

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

The InChIKey is NQCZODXVWIAIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-18-7-9-26-22(15-18)30-23-17-24(29-19(2)28-23)31-11-13-32(14-12-31)25(34)20-5-3-6-21(16-20)33-10-4-8-27-33/h3-10,15-17H,11-14H2,1-2H3,(H,26,28,29,30).

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

[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 454.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 122350426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).